Crystallography Open Database

Information card for entry 1548370

Preview

Coordinates	1548370.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	(CCCC)-1&(AAAA)-1
Formula	C228 H288 N12
Calculated formula	C228 H287.999 N12
Title of publication	Assembled molecular face-rotating polyhedra to transfer chirality from two to three dimensions
Authors of publication	Xinchang Wang; Yu Wang; Huayan Yang; Hongxun Fang; Ruixue Chen; Yibin Sun; Nanfeng Zheng; Kai Tan; Xin Lu; Zhongqun Tian; Xiaoyu Cao
Journal of publication	Nature Communications
Year of publication	2016
Journal volume	7
Pages of publication	12469
a	20.8082 ± 0.0004 Å
b	24.0721 ± 0.0004 Å
c	26.2995 ± 0.0004 Å
α	80.2288 ± 0.0013°
β	72.5101 ± 0.0015°
γ	75.3058 ± 0.0015°
Cell volume	12090.9 ± 0.4 Å³
Cell temperature	100.01 ± 0.1 K
Ambient diffraction temperature	100.01 ± 0.1 K
Number of distinct elements	3
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1089
Residual factor for significantly intense reflections	0.0955
Weighted residual factors for significantly intense reflections	0.2889
Weighted residual factors for all reflections included in the refinement	0.3075
Goodness-of-fit parameter for all reflections included in the refinement	1.098
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
203933 (current)	2017-12-04	cif/ Adding structures of 1548370 via cif-deposit CGI script.	1548370.cif