Crystallography Open Database

Information card for entry 4116087

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Coordinates	4116087.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C103 H115 Cl3 N6 O12
Calculated formula	C103.001 H114.75 Cl2.833 N6 O12
Title of publication	meso-Unsubstituted Porphyrinogens and Hexaphyrinogens: The First X-ray Characterization
Authors of publication	Hidemitsu Uno; Takashi Inoue; Yumiko Fumoto; Motoo Shiro; Noboru Ono
Journal of publication	Journal of the American Chemical Society
Year of publication	2000
Journal volume	122
Pages of publication	6773 - 6774
a	43.981 ± 0.002 Å
b	43.981 ± 0.001 Å
c	17.017 ± 0.001 Å
α	90°
β	90°
γ	120°
Cell volume	28506 ± 2 Å³
Cell temperature	143.2 K
Ambient diffraction temperature	143.2 K
Number of distinct elements	5
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for significantly intense reflections	0.0756
Weighted residual factors for all reflections included in the refinement	0.0941
Goodness-of-fit parameter for all reflections included in the refinement	1.739
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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