Crystallography Open Database

Information card for entry 1569492

Preview

Coordinates	1569492.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C78 H60 F8 N8 O8 S4
Calculated formula	C78 H60 F8 N8 O8 S4
Title of publication	Tetrahomo corona[4]arene-based spirophanes: synthesis, structure, and properties.
Authors of publication	Guo, Shen-Yi; Zhang, Zhuo-Ang; Tong, Shuo; Guo, Qing-Hui; Hua, Ruimao; Wang, Mei-Xiang
Journal of publication	Chemical science
Year of publication	2023
Journal volume	14
Journal issue	31
Pages of publication	8393 - 8400
a	12.7227 ± 0.0004 Å
b	12.7227 ± 0.0004 Å
c	23.8456 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	3859.82 ± 0.19 Å³
Cell temperature	225 ± 40 K
Ambient diffraction temperature	225 ± 40 K
Number of distinct elements	6
Space group number	116
Hermann-Mauguin space group symbol	P -4 c 2
Hall space group symbol	P -4 -2c
Residual factor for all reflections	0.0649
Residual factor for significantly intense reflections	0.041
Weighted residual factors for significantly intense reflections	0.102
Weighted residual factors for all reflections included in the refinement	0.1151
Goodness-of-fit parameter for all reflections included in the refinement	1.023
Diffraction radiation probe	x-ray
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
286068 (current)	2023-09-05	cif/ Updating files of 1569486, 1569487, 1569488, 1569489, 1569490, 1569491, 1569492, 1569493, 1569494, 1569495, 1569496, 1569497, 1569498, 1569499, 1569500, 1569501, 1569502, 1569503, 1569504, 1569505, 1569506 Original log message: Adding full bibliography for 1569486--1569506.cif.	1569492.cif
285160	2023-07-12	cif/ Adding structures of 1569486, 1569487, 1569488, 1569489, 1569490, 1569491, 1569492, 1569493, 1569494, 1569495, 1569496, 1569497, 1569498, 1569499, 1569500, 1569501, 1569502, 1569503, 1569504, 1569505, 1569506 via cif-deposit CGI script.	1569492.cif