Crystallography Open Database

Information card for entry 4026278

Preview

Coordinates	4026278.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C53.47 H31.47 Cl1.4 Cu N4
Calculated formula	C53.4667 H31.4667 Cl1.4 Cu N4
Title of publication	Synthetic Routes to 5,10,15-Triaryl-tetrabenzocorroles
Authors of publication	Giuseppe Pomarico; Sara Nardis; Roberto Paolesse; Owendi C. Ongayi; Brandy H. Courtney; Frank R. Fronczek; Maria Graça H. Vicente
Journal of publication	Journal of Organic Chemistry
Year of publication	2011
Journal volume	76
Pages of publication	3765 - 3773
a	35.073 ± 0.013 Å
b	18.943 ± 0.009 Å
c	23.102 ± 0.011 Å
α	90°
β	130.67 ± 0.02°
γ	90°
Cell volume	11642 ± 10 Å³
Cell temperature	110 ± 0.5 K
Ambient diffraction temperature	110 ± 0.5 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.3463
Residual factor for significantly intense reflections	0.1339
Weighted residual factors for significantly intense reflections	0.2609
Weighted residual factors for all reflections included in the refinement	0.3433
Goodness-of-fit parameter for all reflections included in the refinement	1.014
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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