Crystallography Open Database

Information card for entry 4026279

Preview

Coordinates	4026279.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C57 H29 Cu N7
Calculated formula	C57 H29 Cu N7
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	11.9578 ± 0.0007 Å
b	13.0892 ± 0.0006 Å
c	15.4144 ± 0.0008 Å
α	68.471 ± 0.004°
β	68.114 ± 0.004°
γ	75.445 ± 0.004°
Cell volume	2064.1 ± 0.2 Å³
Cell temperature	100 ± 0.5 K
Ambient diffraction temperature	100 ± 0.5 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.121
Residual factor for significantly intense reflections	0.0937
Weighted residual factors for significantly intense reflections	0.2665
Weighted residual factors for all reflections included in the refinement	0.2895
Goodness-of-fit parameter for all reflections included in the refinement	1.074
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
178441 (current)	2016-03-21	cif/4/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/02/62.	4026279.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4026279.cif
38631	2012-03-05	../uploads/cif-deposit/cod/cif Adding structures of 4026279 via cif-deposit CGI script.	4026279.cif