Crystallography Open Database

Information card for entry 8101247

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Coordinates	8101247.cif
External links	ChemSpider

Structure parameters

Formula	C16 H12 O4
Calculated formula	C16 H12 O4
SMILES	o1c2c(O)c(OC)ccc2c(=O)cc1c1ccccc1
Title of publication	Crystal structure of 8-hydroxy-7-methoxyflavone, C~16~H~12~O~4~
Authors of publication	Shoja, M.; Krikava, A
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2000
Journal volume	215
Journal issue	2
Pages of publication	271 - 272
a	10.615 ± 0.005 Å
b	14.257 ± 0.002 Å
c	16.509 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	2498.4 ± 1.3 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 K
Number of distinct elements	3
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for significantly intense reflections	0.091
Weighted residual factors for significantly intense reflections	0.097
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
206173 (current)	2018-02-05	cif/ (antanas@kurmis) Updating space group information in entries 7100574, 7223912, 8101247.	8101247.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.	8101247.cif
102816	2014-02-23	cif/8/10/ (antanas@lokys.ibt.lt) Adding and updating bibliographic information: volume, authors, issue, first page, last page.	8101247.cif
100676	2014-02-06	cif/8/ (antanas@lokys.ibt.lt) Adding volume number.	8101247.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	8101247.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.	8101247.cif
800	2009-08-07	Corrected the last files with wrong symmetry lines. There are still problems with file 8100668.cif, with an unrecognised _refine_ls_r_factor_i tag	8101247.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/'	8101247.cif
14	2008-01-14	Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files.	8101247.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.	8101247.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)	8101247.cif