Crystallography Open Database

Information card for entry 4115268

Preview

Coordinates	4115268.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C81 H62 Cl18 N12 O4
Calculated formula	C74 H54 Cl18 N12 O4
Title of publication	Quinoxaline-Bridged Porphyrinoids
Authors of publication	Jonathan L. Sessler; Hiromitsu Maeda; Toshihisa Mizuno; Vincent M. Lynch; Hiroyuki Furuta
Journal of publication	Journal of the American Chemical Society
Year of publication	2002
Journal volume	124
Pages of publication	13474 - 13479
a	11.871 ± 0.0001 Å
b	14.7773 ± 0.0001 Å
c	15.1011 ± 0.0002 Å
α	98.764 ± 0.001°
β	113.107 ± 0.001°
γ	113.387 ± 0.001°
Cell volume	2082.06 ± 0.05 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0899
Residual factor for significantly intense reflections	0.064
Weighted residual factors for significantly intense reflections	0.1363
Weighted residual factors for all reflections included in the refinement	0.1413
Goodness-of-fit parameter for all reflections included in the refinement	2.41
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
178923 (current)	2016-03-22	cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/52.	4115268.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4115268.cif
68721	2012-11-20	cif/ Adding structures of 4115268 via cif-deposit CGI script.	4115268.cif