Crystallography Open Database

Information card for entry 7125319

Preview

Coordinates	7125319.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	S-CHDA-FRP-7
Formula	C96 H108 N12
Calculated formula	C96 H108 N12
Title of publication	Chiral separation and characterization of triazatruxene-based face-rotating polyhedra: the role of non-covalent facial interactions.
Authors of publication	Zhang, Pei; Wang, Xinchang; Xuan, Wei; Peng, Pixian; Li, Zhihao; Lu, Ruqiang; Wu, Shuang; Tian, Zhongqun; Cao, Xiaoyu
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2018
Journal volume	54
Journal issue	37
Pages of publication	4685 - 4688
a	23.3854 ± 0.0007 Å
b	23.3854 ± 0.0007 Å
c	89.444 ± 0.002 Å
α	90°
β	90°
γ	120°
Cell volume	42362 ± 2 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	3
Space group number	179
Hermann-Mauguin space group symbol	P 65 2 2
Hall space group symbol	P 65 2 (0 0 1)
Residual factor for all reflections	0.1154
Residual factor for significantly intense reflections	0.0891
Weighted residual factors for significantly intense reflections	0.2366
Weighted residual factors for all reflections included in the refinement	0.2613
Goodness-of-fit parameter for all reflections included in the refinement	1.07
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
236757 (current)	2019-11-24	cif/ Adding structures of 7125318, 7125319 via cif-deposit CGI script.	7125319.cif