Crystallography Open Database

Information card for entry 4503295

Preview

Coordinates	4503295.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Dibromofuchsone
Chemical name	2,6-Dbromo-4-(diphenylmethylene)-cyclohexa-2,5-dienone
Formula	C19 H12 Br2 O
Calculated formula	C19 H12 Br2 O
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	13.977 ± 0.0006 Å
b	6.6643 ± 0.0003 Å
c	17.3378 ± 0.0008 Å
α	90°
β	97.144 ± 0.001°
γ	90°
Cell volume	1602.43 ± 0.12 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0338
Residual factor for significantly intense reflections	0.0272
Weighted residual factors for significantly intense reflections	0.0706
Weighted residual factors for all reflections included in the refinement	0.074
Goodness-of-fit parameter for all reflections included in the refinement	1.071
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
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.	4503295.cif
120110	2014-07-12	Adding DOIs to range 4/50 structures.	4503295.cif
41463	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 4503295 via cif-deposit CGI script.	4503295.cif