Crystallography Open Database

Information card for entry 4116520

Preview

Coordinates	4116520.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H18 O
Calculated formula	C19 H18 O
Title of publication	Kinetic and Mechanistic Study on Single-Crystal-to-Single-Crystal Photodimerization of 2-Benzyl-5-benzylidenecyclopentanone Utilizing X-ray Diffraction
Authors of publication	Kazumasa Honda; Fusae Nakanishi; Neil Feeder
Journal of publication	Journal of the American Chemical Society
Year of publication	1999
Journal volume	121
Pages of publication	8246 - 8250
a	31.235 ± 0.004 Å
b	10.637 ± 0.001 Å
c	8.579 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	2850.3 ± 1.1 Å³
Cell temperature	132 K
Ambient diffraction temperature	132 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 all reflections	0.1572
Residual factor for significantly intense reflections	0.0631
Weighted residual factors for all reflections	0.0919
Weighted residual factors for all reflections included in the refinement	0.0696
Goodness-of-fit parameter for all reflections included in the refinement	1.16
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4116520.cif
72639	2013-01-23	cif/ Adding structures of 4116520 via cif-deposit CGI script.	4116520.cif