Crystallography Open Database

Information card for entry 7118337

Preview

Coordinates	7118337.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33 H32 N2 O S
Calculated formula	C33 H32 N2 O S
SMILES	s1c2c(c3n(c(c(n3)c3ccccc3)c3ccccc3)C32C=C(C(C)(C)C)C(=O)C(=C3)C(C)(C)C)cc1
Title of publication	Thiophene-substituted phenoxyl-imidazolyl radical complexes with high photosensitivity.
Authors of publication	Ikezawa, Takahiro; Mutoh, Katsuya; Kobayashi, Yoichi; Abe, Jiro
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2016
Journal volume	52
Journal issue	12
Pages of publication	2465 - 2468
a	11.58 ± 0.006 Å
b	14.496 ± 0.008 Å
c	18.428 ± 0.01 Å
α	67.834 ± 0.007°
β	89.295 ± 0.008°
γ	70.014 ± 0.008°
Cell volume	2668 ± 2 Å³
Cell temperature	90 K
Ambient diffraction temperature	90 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1298
Residual factor for significantly intense reflections	0.0873
Weighted residual factors for significantly intense reflections	0.227
Weighted residual factors for all reflections included in the refinement	0.2555
Goodness-of-fit parameter for all reflections included in the refinement	1.011
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
175872 (current)	2016-02-04	cif/ Updating files of 7118336, 7118337, 7118338 Original log message: Adding full bibliography for 7118336--7118338.cif.	7118337.cif
173529	2016-01-06	cif/ Adding structures of 7118336, 7118337, 7118338 via cif-deposit CGI script.	7118337.cif