Crystallography Open Database

Information card for entry 4124871

Preview

Coordinates	4124871.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C49 H42 N2 O
Calculated formula	C49 H42 N2 O
Title of publication	Fast Negative Photochromism of 1,1'-Binaphthyl-Bridged Phenoxyl-Imidazolyl Radical Complex.
Authors of publication	Yamaguchi, Tetsuo; Kobayashi, Yoichi; Abe, Jiro
Journal of publication	Journal of the American Chemical Society
Year of publication	2016
Journal volume	138
Journal issue	3
Pages of publication	906 - 913
a	19.913 ± 0.006 Å
b	10.816 ± 0.003 Å
c	17.349 ± 0.005 Å
α	90°
β	96.843 ± 0.004°
γ	90°
Cell volume	3710 ± 1.9 Å³
Cell temperature	90 K
Ambient diffraction temperature	90 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	0.1458
Residual factor for significantly intense reflections	0.0584
Weighted residual factors for significantly intense reflections	0.1058
Weighted residual factors for all reflections included in the refinement	0.137
Goodness-of-fit parameter for all reflections included in the refinement	0.934
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
175784 (current)	2016-02-04	cif/ Updating files of 4124871, 4124872, 4124873 Original log message: Adding full bibliography for 4124871--4124873.cif.	4124871.cif
174425	2016-01-14	cif/ Adding structures of 4124871 via cif-deposit CGI script.	4124871.cif