Crystallography Open Database

Information card for entry 7154731

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Coordinates	7154731.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C53 H48 Cl2 N6 S2
Calculated formula	C53 H48 Cl2 N6 S2
Title of publication	Effects of cyano, ethynyl and ethylenedioxy groups on the photophysical properties of carbazole-based porphyrins.
Authors of publication	Maeda, Chihiro; Kurihara, Kosuke; Masuda, Motoki; Yoshioka, Naoki
Journal of publication	Organic & biomolecular chemistry
Year of publication	2015
Journal volume	13
Journal issue	46
Pages of publication	11286 - 11291
a	19.1544 ± 0.0007 Å
b	28.1718 ± 0.0011 Å
c	19.2631 ± 0.0007 Å
α	90°
β	104.865 ± 0.001°
γ	90°
Cell volume	10046.8 ± 0.7 Å³
Cell temperature	93 ± 2 K
Ambient diffraction temperature	93 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0982
Residual factor for significantly intense reflections	0.0784
Weighted residual factors for significantly intense reflections	0.2188
Weighted residual factors for all reflections included in the refinement	0.2358
Goodness-of-fit parameter for all reflections included in the refinement	1.026
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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