Crystallography Open Database

Information card for entry 4319097

4319096 << 4319097 >> 4319098

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Coordinates	4319097.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	meso-tetraphenyloctamethoxycarbonyltetrabenzoporphyrin
Formula	C76 H54 N4 O16
Calculated formula	C76 H54 N4 O16
Title of publication	Influence of Nonplanarity and Extended Conjugation on Porphyrin Basicity
Authors of publication	Olga S. Finikova; Andrei V. Cheprakov; Patrick J. Carroll; Sergio Dalosto; Sergei A. Vinogradov
Journal of publication	Inorganic Chemistry
Year of publication	2002
Journal volume	41
Pages of publication	6944 - 6946
a	20.9448 ± 0.0003 Å
b	20.9448 ± 0.0003 Å
c	9.0485 ± 0.0001 Å
α	90°
β	90°
γ	90°
Cell volume	3969.44 ± 0.09 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	4
Space group number	114
Hermann-Mauguin space group symbol	P -4 21 c
Hall space group symbol	P -4 2n
Residual factor for all reflections	0.0952
Residual factor for significantly intense reflections	0.0834
Weighted residual factors for all reflections	0.2195
Weighted residual factors for significantly intense reflections	0.2107
Goodness-of-fit parameter for all reflections	1.167
Goodness-of-fit parameter for significantly intense reflections	1.219
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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