Crystallography Open Database

Information card for entry 4109391

Preview

Coordinates	4109391.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C52 H38 Cl2 F12 N4 O
Calculated formula	C52 H38 Cl2 F12 N4 O
Title of publication	Synthesis and Reactions of 20 π-Electron β-Tetrakis(trifluoromethyl)-meso-tetraphenylporphyrins
Authors of publication	Chao Liu; Dong-Mei Shen; Qing-Yun Chen
Journal of publication	Journal of the American Chemical Society
Year of publication	2007
Journal volume	129
Pages of publication	5814 - 5815
a	10.596 ± 0.002 Å
b	20.027 ± 0.004 Å
c	11.671 ± 0.002 Å
α	90°
β	91.524 ± 0.004°
γ	90°
Cell volume	2475.8 ± 0.8 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	11
Hermann-Mauguin space group symbol	P 1 21/m 1
Hall space group symbol	-P 2yb
Residual factor for all reflections	0.1477
Residual factor for significantly intense reflections	0.0841
Weighted residual factors for significantly intense reflections	0.2366
Weighted residual factors for all reflections included in the refinement	0.2709
Goodness-of-fit parameter for all reflections included in the refinement	0.954
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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