Crystallography Open Database

Information card for entry 4503302

Preview

Coordinates	4503302.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	2,6-Diphenylfuchsone
Chemical name	2,6-Diphenyl-4-(diphenylmethylene)-cyclohexa-2,5-dienone
Formula	C31 H22 O
Calculated formula	C31 H22 O
SMILES	C1(=O)C(=CC(=C(c2ccccc2)c2ccccc2)C=C1c1ccccc1)c1ccccc1
Title of publication	Polymorphism in Fuchsones
Authors of publication	Chandran, Sreekant K.; Nath, Naba K.; Roy, Saikat; Nangia, Ashwini
Journal of publication	Crystal Growth & Design
Year of publication	2008
Journal volume	8
Journal issue	1
Pages of publication	140
a	8.0562 ± 0.0006 Å
b	23.5228 ± 0.0019 Å
c	11.5384 ± 0.0009 Å
α	90°
β	90°
γ	90°
Cell volume	2186.6 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	3
Space group number	60
Hermann-Mauguin space group symbol	P b c n
Hall space group symbol	-P 2n 2ab
Residual factor for all reflections	0.0652
Residual factor for significantly intense reflections	0.0577
Weighted residual factors for significantly intense reflections	0.1213
Weighted residual factors for all reflections included in the refinement	0.1249
Goodness-of-fit parameter for all reflections included in the refinement	1.181
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	4503302.cif
120110	2014-07-12	Adding DOIs to range 4/50 structures.	4503302.cif
41470	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 4503302 via cif-deposit CGI script.	4503302.cif