Crystallography Open Database

Information card for entry 8101484

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Coordinates	8101484.cif
External links	ChemSpider

Structure parameters

Formula	C16 H12 O4
Calculated formula	C16 H12 O4
SMILES	c1(=O)c2c(oc(c1O)c1ccccc1OC)cccc2
Title of publication	Crystal structure of 3-hydroxy-2'-methoxyflavone, C16H12O4
Authors of publication	Shoja, M.; Sullivan, P.
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	1999
Journal volume	214
Journal issue	2
Pages of publication	237 - 238
a	7.463 ± 0.002 Å
b	10.12 ± 0.003 Å
c	10.186 ± 0.001 Å
α	62.15 ± 0.02°
β	71.39 ± 0.02°
γ	73.91 ± 0.02°
Cell volume	637.1 ± 0.3 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 K
Number of distinct elements	3
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for significantly intense reflections	0.042
Weighted residual factors for significantly intense reflections	0.047
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
206172 (current)	2018-02-05	cif/ Updating space group information in entries 2214174, 4000267, 4020204, 4020447, 4020449, 4021165, 4021169, 4021171, 4021688, 4022146, 4060783, 4060939, 4060940, 4060972, 4060973, 4060975, 4062658, 7100142, 7100143, 7100826, 7100944, 7101032, 8101484.	8101484.cif
202018	2017-10-14	cif/ Marking COD entries in range 8 that are known to be related to ChemSpider entries using the _cod_related_entry data loop.	8101484.cif
102501	2014-02-21	cif/8/ (antanas@lokys.ibt.lt) Adding bibliographic information: issue, first page, last page.	8101484.cif
100411	2014-02-06	cif/8/10/ (antanas@lokys.ibt.lt) Adding volume number.	8101484.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	8101484.cif
17004	2011-03-31	cif/ Commiting CIFs, that were updated with the 'cif_fix_values' script, using options '--fix-misspelled replacement_values.lst', '--fix-temperature' and '--fix-enums' with built-in table of enum values. The following cmd was used: > (set -x; find ? -name \*.cif \| sort \| xargs -i sh -c 'if !( > cif_fix_values --fix-misspelled ~/../inputs/replacament_values.lst {} \| > cif_filter --add-cif-header {} \| > sponge {} ) 2>&1 \| grep NOTE; then svn revert {}; > fi' ) &	8101484.cif
966	2010-01-30	cif/ Adding _cod_database_code tags to all COD entries. Adding tag description to the cif_cod.dic dictionary so that COD entries can be validated.	8101484.cif
48	2008-01-29	Fixing syntax errors in 38 more files. There might be a miscrepancy introduced into cifs-with-errors.lst.	8101484.cif
19	2008-01-26	Changing all end-of-line codes from DOS style to UNIX style in all COD CIF files, for more convenient processing: In the cod/cif/ directory: ff \*.cif \| xargs perl -i -pe 's/\r\n/\n/'	8101484.cif
14	2008-01-14	Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files.	8101484.cif
13	2008-01-13	Setting the svn:keywords property to "Author Date Revision URL Id" for all CIF files in the cod/cif directory.	8101484.cif
1	2007-11-30	Adding all .cif files from the COD, downloaded in a Cod.zip file on 2007.02.07 (and the same Cod.zip is downloadable today, on 2007.11.29)	8101484.cif