Crystallography Open Database

Information card for entry 4500158

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Structure parameters

Common name	beta resoryclic acid form I
Chemical name	2,4-hidyroxybenzoic acid form I
Formula	C7 H6 O4
Calculated formula	C7 H6 O4
SMILES	OC(=O)c1c(O)cc(O)cc1
Title of publication	Solid-State Forms of β-Resorcylic Acid: How Exhaustive Should a Polymorph Screen Be?
Authors of publication	Braun, Doris E.; Karamertzanis, Panagiotis G.; Arlin, Jean-Baptiste; Florence, Alastair J.; Kahlenberg, Volker; Tocher, Derek A.; Griesser, Ulrich J.; Price, Sarah L.
Journal of publication	Crystal growth & design
Year of publication	2011
Journal volume	11
Journal issue	1
Pages of publication	210 - 220
a	23.1978 ± 0.0004 Å
b	5.5469 ± 0.0001 Å
c	5.198 ± 0.0001 Å
α	90°
β	92.215 ± 0.001°
γ	90°
Cell volume	668.36 ± 0.02 Å³
Ambient diffraction temperature	298 K
Number of distinct elements	3
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/a 1
Hall space group symbol	-P 2yab
Goodness-of-fit parameter for all reflections	2.877
Method of determination	powder diffraction
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
201982 (current)	2017-10-13	cif/ Marking COD entries in range 4 that are known to be related to ChemSpider entries using the _cod_related_entry data loop.	4500158.cif
179532	2016-03-24	cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/01.	4500158.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4500158.cif
34376	2012-02-25	../uploads/cif-deposit/cod/cif Adding structures of 4500158 via cif-deposit CGI script.	4500158.cif