Crystallography Open Database

Information card for entry 4130294

Preview

Coordinates	4130294.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C60 H44 N4 O8
Calculated formula	C60 H44 N4 O8
Title of publication	Directing the Crystallization of Dehydro[24]annulenes into Supramolecular Nanotubular Scaffolds.
Authors of publication	Suzuki, Mitsuharu; Kotyk, Juliet F Khosrowabadi; Khan, Saeed I.; Rubin, Yves
Journal of publication	Journal of the American Chemical Society
Year of publication	2016
Journal volume	138
Journal issue	18
Pages of publication	5939 - 5956
a	21.686 ± 0.009 Å
b	4.784 ± 0.002 Å
c	27.556 ± 0.013 Å
α	90°
β	102.913 ± 0.01°
γ	90°
Cell volume	2787 ± 2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	5
Hermann-Mauguin space group symbol	C 1 2 1
Hall space group symbol	C 2y
Residual factor for all reflections	0.0994
Residual factor for significantly intense reflections	0.0754
Weighted residual factors for significantly intense reflections	0.1932
Weighted residual factors for all reflections included in the refinement	0.2067
Goodness-of-fit parameter for all reflections included in the refinement	1.04
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
240779 (current)	2019-11-25	cif/ Adding structures of 4130285, 4130286, 4130287, 4130288, 4130289, 4130290, 4130291, 4130292, 4130293, 4130294, 4130295, 4130296, 4130297, 4130298 via cif-deposit CGI script.	4130294.cif