Crystallography Open Database

Information card for entry 7154732

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Coordinates	7154732.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C58.58 H68.68 Cl0.95 N2 O4 S2
Calculated formula	C58.542 H68.598 Cl0.972 N2 O4 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	12.3573 ± 0.0005 Å
b	13.8029 ± 0.0001 Å
c	17.2234 ± 0.0013 Å
α	71.455 ± 0.015°
β	82.166 ± 0.016°
γ	64.049 ± 0.014°
Cell volume	2504.3 ± 0.4 Å³
Cell temperature	93 ± 2 K
Ambient diffraction temperature	93 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0678
Residual factor for significantly intense reflections	0.0584
Weighted residual factors for significantly intense reflections	0.1655
Weighted residual factors for all reflections included in the refinement	0.172
Goodness-of-fit parameter for all reflections included in the refinement	1.052
Diffraction radiation wavelength	1.54187 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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