Crystallography Open Database

Information card for entry 7118336

Preview

Coordinates	7118336.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C39 H36 N2 O S
Calculated formula	C39 H36 N2 O S
SMILES	s1c2c(C3(n4c(c5ccccc5)c(nc24)c2ccccc2)C=C(C(=O)C(=C3)C(C)(C)C)C(C)(C)C)cc1c1ccccc1
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	13.163 ± 0.0009 Å
b	9.4788 ± 0.0007 Å
c	25.5497 ± 0.0018 Å
α	90°
β	96.7832 ± 0.001°
γ	90°
Cell volume	3165.5 ± 0.4 Å³
Cell temperature	90 ± 2 K
Ambient diffraction temperature	90 ± 2 K
Number of distinct elements	5
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	0.0556
Residual factor for significantly intense reflections	0.0388
Weighted residual factors for significantly intense reflections	0.0894
Weighted residual factors for all reflections included in the refinement	0.0977
Goodness-of-fit parameter for all reflections included in the refinement	1.018
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.	7118336.cif
173529	2016-01-06	cif/ Adding structures of 7118336, 7118337, 7118338 via cif-deposit CGI script.	7118336.cif