Appendix B: Text Fields
Fields located in TEXT sub-menu called from SEARCH menu (see
Section 3.2 Ex.6).
- COMPOUND Compound name text, normally IUPAC standard.
- NAME Search field is combination of compound+synonym name.
- QUALIFIER Qualifying phrase(s) that describe non-standard features of the
experiment, e.g. neutron study, form I, at 120K, absolute
configuration, antihypertensive agent.
- SYNONYM Common name for compound where applicable.
- XNAME Search field as for NAME but with punctuation signs, numbers,
spaces etc. removed, e.g. buta-1,3-diene = butadiene.
FORMULA Complete chemical formula. Search must be coded using exact
CSD formula syntax rules (Vol.2, p.11-12).
The FORMULAE sub-menu permits flexible searching of this field.
AUTHOR Author names including initials, e.g. B.W.Smith
PAGE Journal starting page number (sometimes not a number,
hence a text search). Journals are referred to by a CCDC code
number (coden) given in the on-line HELP or in Vol.3, Appendix 4
of documentation. Searches of CODEN and of the year of publication
(YEAR) are encoded via the NUMERIC sub-menu called from SEARCH
SURNAME Author surnames without initials, e.g. Smith
VOLUME Journal volume (sometimes not a number, hence a text search).
CCOMMENT Comments about the 2D chemical connectivity representation.
DISORDER Text details of any disorder present in the structure.
ERROR Text details of any errors located in the original paper
and corrected during CSD check procedures.
PROPERTIES Records information about the crystal: (a) melting point,
(b) colour, (c) source of natural product/polymorph,
(d) general notes e.g. hygroscopic, phase transition etc.
REMARKS Text details of suspected, but so far uncorrected, errors or
details of any special features of interest in the structure or
SPACEGROUP The Hermann-Mauguin space group name from International Tables
for Crystallography, text books, the on-line HELP or in Vol.3,
Appendix 6 of the documentation.
TEXT Search field is a concatenation of all text fields for the entry
REFCODE CSD reference code. This is NOT the recommended way of
retrieving information on the basis of refcode. Use Virtual
Database facility, see Section 3.8.
Other fields on the TEXT sub-menu are for CCDC use only.