Crystallography Open Database

Information card for entry 4101924

4101923 << 4101924 >> 4101925

Preview

Coordinates	4101924.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C88 H16 Cu2 F40 N8 O2
Calculated formula	C88 H16 Cu2 F40 N8 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	39.112 ± 0.003 Å
b	18.9019 ± 0.0012 Å
c	27.3436 ± 0.0018 Å
α	90°
β	114.308 ± 0.001°
γ	90°
Cell volume	18423 ± 2 Å³
Cell temperature	90 ± 2 K
Ambient diffraction temperature	90 ± 2 K
Number of distinct elements	6
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	0.0779
Residual factor for significantly intense reflections	0.0555
Weighted residual factors for significantly intense reflections	0.1429
Weighted residual factors for all reflections included in the refinement	0.1528
Goodness-of-fit parameter for all reflections included in the refinement	0.972
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
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.	4101924.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4101924.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4101924.cif
24743	2011-09-07	../uploads/cif-deposit/cod/cif Adding structures of 4101924 via cif-deposit CGI script.	4101924.cif