Crystallography Open Database

Information card for entry 4130295

Preview

Coordinates	4130295.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C68 H60 N4 O10
Calculated formula	C68 H60 N4 O10
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	9.9571 ± 0.001 Å
b	17.4414 ± 0.0019 Å
c	42.952 ± 0.005 Å
α	90°
β	90°
γ	90°
Cell volume	7459.3 ± 1.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	29
Hermann-Mauguin space group symbol	P c a 21
Hall space group symbol	P 2c -2ac
Residual factor for all reflections	0.0935
Residual factor for significantly intense reflections	0.0718
Weighted residual factors for significantly intense reflections	0.2008
Weighted residual factors for all reflections included in the refinement	0.2147
Goodness-of-fit parameter for all reflections included in the refinement	1.037
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.	4130295.cif