Crystallography Open Database

Information card for entry 2200682

2200681 << 2200682 >> 2200683

Preview

Coordinates	2200682.cif
Structure factors	2200682.hkl
Original paper (by DOI)	HTML

Structure parameters

Chemical name	(±)-(1RS,2SR)-1,2-Di(2'-methyl-3'-oxo-cyclohex-1'-enyl)-1,2-diphenylethan
Formula	C28 H30 O2
Calculated formula	C28 H30 O2
Title of publication	(±)-(1RS,2SR)-1,2-Bis(2'-methyl-3'-oxo-cyclohex-1'-enyl)-1,2-diphenylethane
Authors of publication	Ibrahim, Hasim; Bach, Thorsten; Harms, Klaus
Journal of publication	Acta Crystallographica Section E
Year of publication	2001
Journal volume	57
Journal issue	12
Pages of publication	o1145 - o1146
a	10.8658 ± 0.0007 Å
b	9.4435 ± 0.0005 Å
c	11.7323 ± 0.0008 Å
α	90°
β	112.74 ± 0.006°
γ	90°
Cell volume	1110.29 ± 0.12 Å³
Cell temperature	213 ± 2 K
Ambient diffraction temperature	213 ± 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
Residual factor for all reflections	0.0643
Residual factor for significantly intense reflections	0.058
Weighted residual factors for all reflections included in the refinement	0.165
Goodness-of-fit parameter for all reflections included in the refinement	1.072
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

Version history

Revision	Date	Message	Files
183975 (current)	2016-06-27	hkl/2/20/06/ Setting svn:keywords for 2200682.hkl.	2200682.cif 2200682.hkl
183974	2016-06-27	hkl/2/20/06/ Adding Fobs for COD entry 2200682.	2200682.cif 2200682.hkl
176428	2016-02-13	cif/ (antanas@kurmis) Replacing _cod_cif_authors_sg_Hall tag with _cod_original_sg_symbol_Hall tag and _cod_cif_authors_sg_H-M tag with _cod_original_sg_symbol_H-M tag in multiple entries sine the replaced tags are deprecated according to the COD CIF dictionary.	2200682.cif
174726	2016-01-22	cif/2/20/ (antanas@kurmis) Adding additional information from the original publication to the entry 2200682.	2200682.cif
26848	2011-09-28	cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree.	2200682.cif
5310	2011-01-02	cif/ Running cif_fix_enum with the core CIF dictionary on COD ranges 2, 8 and 9. Range 9 remained unchanged, and in ranges 2 and 8 there were 17309 modified files, most changes were fixes enumerator case.	2200682.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.	2200682.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.	2200682.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/'	2200682.cif
14	2008-01-14	Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files.	2200682.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.	2200682.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)	2200682.cif