Crystallography Open Database

Information card for entry 1570593

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Coordinates	1570593.cif
Original IUCr paper	HTML

Structure parameters

Common name	<i>meso</i>-α,α-5,15-Bis(<i>o</i>-nicotinamidophenyl)-10,20-diphenylporphyrin <i>n</i>-hexane monosolvate
Chemical name	<i>meso</i>-α,α-5,15-Bis(2-nicotinamidophenyl)-10,20-diphenylporphyrin <i>n</i>-hexane monosolvate
Formula	C62 H52 N8 O2
Calculated formula	C62 H52 N8 O2
Title of publication	meso-α,α-5,15-Bis(o-nicotinamidophenyl)-10,20-diphenylporphyrin n-hexane monosolvate
Authors of publication	Sun, Xiaotao; Li, Jianfeng
Journal of publication	IUCrData
Year of publication	2023
Journal volume	8
Journal issue	12
a	13.4628 ± 0.0002 Å
b	17.2828 ± 0.0003 Å
c	21.7586 ± 0.0004 Å
α	84.624 ± 0.002°
β	84.857 ± 0.003°
γ	85.114 ± 0.004°
Cell volume	5005.05 ± 0.15 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1108
Residual factor for significantly intense reflections	0.0721
Weighted residual factors for significantly intense reflections	0.1795
Weighted residual factors for all reflections included in the refinement	0.2231
Goodness-of-fit parameter for all reflections included in the refinement	1.07
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
288528 (current)	2023-12-23	cif/ Adding structures of 1570593 via cif-deposit CGI script.	1570593.cif