Crystallography Open Database

Information card for entry 4101925

4101924 << 4101925 >> 4101926

Preview

Coordinates	4101925.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C80 H20 Cl3 Cu2 F35 N7 O2
Calculated formula	C80 H20 Cl3 Cu2 F35 N7 O2
Title of publication	Fully π-Conjugated Helices from Oxidative Cleavage of meso-Aryl-Substituted Expanded Porphyrins
Authors of publication	Shohei Saito; Ko Furukawa; Atsuhiro Osuka
Journal of publication	Journal of the American Chemical Society
Year of publication	2010
Journal volume	132
Pages of publication	2128 - 2129
a	14.78 ± 0.005 Å
b	15.482 ± 0.005 Å
c	20.108 ± 0.005 Å
α	97.239 ± 0.005°
β	95.604 ± 0.005°
γ	117.085 ± 0.005°
Cell volume	4001 ± 2 Å³
Cell temperature	90 ± 2 K
Ambient diffraction temperature	90 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1267
Residual factor for significantly intense reflections	0.0856
Weighted residual factors for significantly intense reflections	0.2262
Weighted residual factors for all reflections included in the refinement	0.2429
Goodness-of-fit parameter for all reflections included in the refinement	1.087
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178765 (current)	2016-03-21	cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/19.	4101925.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4101925.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4101925.cif
24744	2011-09-07	../uploads/cif-deposit/cod/cif Adding structures of 4101925 via cif-deposit CGI script.	4101925.cif