Crystallography Open Database

Information card for entry 8100788

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Coordinates	8100788.cif

Structure parameters

Formula	C22 H16 O5
Calculated formula	C22 H16 O5
SMILES	O1[C@H]([C@@H]2[C@H](C1=O)C(=O)Oc1ccc3ccccc3c21)c1ccc(OC)cc1.O1[C@@H]([C@H]2[C@@H](C1=O)C(=O)Oc1ccc3ccccc3c21)c1ccc(OC)cc1
Title of publication	Crystal structure of 1-(4-methoxyphenyl)-1,3a,4,11c-tetrahydro-3H- benzo[f]furo[3,4-c]chromen-3,4-dione, C~22~H~16~O~5~
Authors of publication	Greatrex, B.; Jevric, M.; Kimber, M. C.; Krivickas, S. J.; Taylor, D. K.; Tiekink, E. R. T.
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2002
Journal volume	217
Journal issue	4
Pages of publication	587 - 588
a	8.328 ± 0.0006 Å
b	11.9444 ± 0.0008 Å
c	17.1876 ± 0.0012 Å
α	90°
β	100.226 ± 0.002°
γ	90°
Cell volume	1682.5 ± 0.2 Å³
Cell temperature	223 ± 2 K
Ambient diffraction temperature	223 ± 2 K
Number of distinct elements	3
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176728 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 8.	8100788.cif
103378	2014-03-04	cif/8/ (antanas@lokys.ibt.lt) Adding and updating bibliographic information: volume, authors, issue, first page, last page.	8100788.cif
100680	2014-02-06	cif/8/10/ (antanas@lokys.ibt.lt) Added paper volumes.	8100788.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	8100788.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.	8100788.cif
853	2009-11-16	cif/ Reconstructing spacegroup designators from the symmetry operators were possible. The comands used can be found in the log file reformat-spacegroups-2009.11.14.log committed with the current revision. Only lines that contained spacegroup designators were changed, and all files pass vcif test after the conversion.	8100788.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/'	8100788.cif
14	2008-01-14	Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files.	8100788.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.	8100788.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)	8100788.cif