


 Read data from CIF  test.cif                        

 Warning: data name _blat1                           not in dictionary!
 Warning: data name _blat2                           not in dictionary!

 Access items in data block  mumbo_jumbo                     

 Cell dimension(s) missing!

 Cell     0.0000   14.9560   19.7370
          0.0000    0.0010    0.0030

 Space group   P_2ac_2ab

 Next data name in CIF is   _atom_type_symbol               

 Audit record

  91-04-09           text and data added by Tony Willis.                        
  91-04-15           rec'd by co-editor with diagram as manuscript HL7.         
  91-04-17           adjustments based on first referees report.                
  91-04-18           adjustments based on second referee's report.              

 Atom sites

 s     0.2020  0.7980  0.9167  0.0300  0.0000  0.0000  0.0000  0.0030
 o     0.4980  0.4980  0.6667  0.0252  0.0000  0.0000  0.0000  0.0030
 c1    0.4880  0.0960  0.0380  0.0317  0.0000  0.0000  0.0000  0.0030


 Access items in data block  publication                     


 Author list

 Furber, Mark
 Research School of Chemistry                      
 Australian National University                    
 GPO Box 4                                         
 Canberra, A.C.T.                                  
 Australia    2601                                 

 Mander, Lewis N.
 Research School of Chemistry                      
 Australian National University                    
 GPO Box 4                                         
 Canberra, A.C.T.                                  
 Australia    2601                                 

 Patrick, Graham L.
 Research School of Chemistry                      
 Australian National University                    
 GPO Box 4                                         
 Canberra, A.C.T.                                  
 Australia    2601                                 

 Willis, Anthony C.
 Research School of Chemistry                      
 Australian National University                    
 GPO Box 4                                         
 Canberra, A.C.T.                                  
 Australia    2601                                 
 Warning: data name _blat1                           not in dictionary!
 Warning: data name _blat2                           not in dictionary!



 Access items in data block  mumbo_jumbo                     


 Atom coordinates and Uij

 s     0.2020  0.7980  0.9167  0.0350  0.0250  0.0250  0.0130  0.0000  0.0000
 o     0.4980  0.4980  0.6667
 c1    0.4880  0.0960  0.0380

_audit_creation_date               char    8    0
91-03-20

_audit_creation_method             char   34    0
from_xtal_archive_file_using_CIFIO

_audit_update_record               text   80    0
  91-04-09           text and data added by Tony Willis.                        
  91-04-15           rec'd by co-editor with diagram as manuscript HL7.         
  91-04-17           adjustments based on first referees report.                
  91-04-18           adjustments based on second referee's report.              

_chemical_name_systematic          char   65    0
trans-3-Benzoyl-2-(tert-butyl)-4-(iso-butyl)-1,3-oxazolidin-5-one

_chemical_formula_moiety           char   12    0
C18 H25 N O3

_chemical_formula_sum              char   12    0
C18 H25 N O3

_chemical_formula_weight           numb    6    0
  303.4000    0.0000

_chemical_melting_point            null    1    0

_cell_length_a                     null    1    0

_cell_length_b                     numb    9    0
   14.9560    0.0010

_cell_length_c                     numb    9    0
   19.7370    0.0030

_cell_angle_alpha                  numb    2    0
   90.0000    0.0030

_cell_angle_beta                   numb    2    0
   90.0000    0.0030

_cell_angle_gamma                  numb    2    0
   90.0000    0.0030

_cell_volume                       numb    9    0
 1759.0000    0.3000

_cell_formula_units_Z              numb    1    0
    4.0000    0.3000

_cell_measurement_temperature      numb    3    0
  293.0000    0.3000

_cell_measurement_reflns_used      numb    2    0
   25.0000    0.3000

_cell_measurement_theta_min        numb    2    0
   25.0000    0.3000

_cell_measurement_theta_max        numb    2    0
   31.0000    0.3000

                                   null    1    0

_blat2                             numb    1    4
    2.0000    0.3000

_blat1                             numb    1    4
    1.0000    0.3000

_blat2                             numb    1    4
    4.0000    0.3000

_blat1                             numb    1    4
    3.0000    0.3000

_blat2                             numb    1    4
    6.0000    0.3000

_blat1                             numb    1    4
    5.0000    0.3000

_blat2                             char    1    4
b

_blat1                             char    1    4
a

_blat2                             char    1    4
d

_blat1                             char    1    4
c

                                   null    1    4

_symmetry_cell_setting             char   12    0
orthorhombic

_symmetry_space_group_name_H-M     char   10    0
P 21 21 21

_symmetry_space_group_name_Hall    char    9    0
P_2ac_2ab

                                   null    1    0

_atom_type_symbol                  char    1    1
S

_atom_type_oxidation_number        numb    1    1
    0.0000    0.3000

_atom_type_number_in_cell          numb    1    1
    6.0000    0.3000

_atom_type_scat_dispersion_real    numb    4    1
    0.3190    0.3000

_atom_type_scat_dispersion_imag    numb    4    1
    0.5570    0.3000

_atom_type_scat_source             char   32    1
Int_Tab_Vol_III_p202_Tab._3.3.1a

_atom_type_symbol                  char    1    1
O

_atom_type_oxidation_number        numb    1    1
    0.0000    0.3000

_atom_type_number_in_cell          numb    1    1
    6.0000    0.3000

_atom_type_number_in_cell          numb    1    1
    6.0000    0.3000

_atom_type_oxidation_number        numb    1    1
    0.0000    0.3000

_atom_type_scat_dispersion_real    numb    4    1
    0.0170    0.3000

                                   null    1    1

                                   null    1    1

_atom_site_label                   char    1    2
s

_atom_site_fract_x                 numb    6    2
    0.2020    0.3000

_atom_site_fract_y                 numb    6    2
    0.7980    0.3000

_atom_site_fract_z                 numb    6    2
    0.9167    0.3000

_atom_site_U_iso_or_equiv          numb    7    2
    0.0300    0.0030

_atom_site_thermal_displace_type   char    3    2
Uij

_atom_site_calc_flag               null    1    2

_atom_site_calc_attached_atom      null    1    2

_atom_site_type_symbol             char    1    2
s

_atom_site_type_symbol             char    1    2
s

_atom_site_type_symbol             char    1    2
s

_atom_site_type_symbol             char    1    2
s

_rubish_here                       null    1    2

_atom_site_type_symbol             char    1    2
o

_atom_site_type_symbol             char    1    2
o

_atom_site_type_symbol             char    1    2
o

_symmetry_space_group_name_Hall    char    9    0
P_2ac_2ab

_atom_site_type_symbol             char    1    2
s

_atom_site_type_symbol             char    1    2
s

_atom_site_type_symbol             char    1    2
s

_atom_site_type_symbol             char    1    2
s

                                   null    1    2

_atom_site_aniso_label             char    1    3
s

_atom_site_aniso_U_11              numb    7    3
    0.0350    0.0040

_atom_site_aniso_U_22              numb    7    3
    0.0250    0.0030

_atom_site_aniso_U_33              numb    7    3
    0.0250    0.0030

_atom_site_aniso_U_12              numb    7    3
    0.0130    0.0010

_atom_site_aniso_U_13              numb    6    3
    0.0000    0.0010

_atom_site_aniso_U_23              numb    6    3
    0.0000    0.0010

_atom_site_aniso_type_symbol       char    1    3
s

_atom_site_aniso_U_12              numb    7    3
    0.0130    0.0010

_atom_site_aniso_U_12              numb    7    3
    0.0130    0.0010

_atom_site_aniso_U_12              numb    7    3
    0.0130    0.0010


