Crystallographic Information Framework

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Index

Core dictionary (coreCIF) version 2.4.5

_chemical_identifier_inchi_key

Name:
'_chemical_identifier_inchi_key'

Definition:

   The InChIKey is a compact hashed version of the full InChI
   (IUPAC International Chemical Identifier), designed to allow
   for easy web searches of chemical compounds. See
   http://www.iupac.org/inchi/

Example:

InChIKey=OROGSEYTTFOCAN-DNJOTXNNBG codeine

Type: char

Category: chemical


International Tables for Crystallography

Volume G: Definition and exchange of crystallographic data

First online edition (2006)

Edited by S. R. Hall and B. McMahon

An essential guide and reference to CIF for programmers, data managers handling crystal-structure information and practising crystallographers.