Crystallography Open Database

Information card for entry 4119391

4119390 << 4119391 >> 4119392

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Coordinates	4119391.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54 H40 N4 O4
Calculated formula	C54 H40 N4 O4
Title of publication	Unusual Negative Photochromism via a Short-Lived Imidazolyl Radical of 1,1'-Binaphthyl-Bridged Imidazole Dimer
Authors of publication	Sayaka Hatano; Takeru Horino; Atsuhiro Tokita; Toyoji Oshima; Jiro Abe
Journal of publication	Journal of the American Chemical Society
Year of publication	2013
Journal volume	135
Pages of publication	3164 - 3172
a	11.515 ± 0.01 Å
b	13.147 ± 0.012 Å
c	27.49 ± 0.03 Å
α	90°
β	91.924 ± 0.013°
γ	90°
Cell volume	4159 ± 7 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	0.0578
Residual factor for significantly intense reflections	0.0439
Weighted residual factors for significantly intense reflections	0.1122
Weighted residual factors for all reflections included in the refinement	0.1196
Goodness-of-fit parameter for all reflections included in the refinement	1.075
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
178964 (current)	2016-03-22	cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/93.	4119391.cif
103542	2014-03-05	cif/ Adding structures of 4119391 via cif-deposit CGI script.	4119391.cif