Crystallography Open Database

Information card for entry 8107590

Preview

Coordinates	8107590.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C50 H32 Cl6 F4 N4 O4
Calculated formula	C50 H32 Cl6 F4 N4 O4
Title of publication	The crystal structure of dimethyl 4,4′-[10,20-bis(2,6-difluorophenyl)porphyrin-5,15-diyl]dibenzoate chloroform solvate, C50H32Cl6F4N4O4
Authors of publication	Yang, Bingcui; Wang, Yuzhou; Cui, Hao
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2023
Journal volume	238
Journal issue	5
Pages of publication	881 - 883
a	6.6447 ± 0.0006 Å
b	12.5839 ± 0.0011 Å
c	14.3335 ± 0.0011 Å
α	85.845 ± 0.007°
β	85.589 ± 0.007°
γ	85.679 ± 0.007°
Cell volume	1188.89 ± 0.18 Å³
Cell temperature	200 ± 0.1 K
Ambient diffraction temperature	200 ± 0.1 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	0.0751
Residual factor for significantly intense reflections	0.0605
Weighted residual factors for significantly intense reflections	0.1544
Weighted residual factors for all reflections included in the refinement	0.174
Goodness-of-fit parameter for all reflections included in the refinement	1.032
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
286871 (current)	2023-10-10	cif/ Adding structures of 8107590 via cif-deposit CGI script.	8107590.cif