Crystallography Open Database

Information card for entry 1569486

Preview

Coordinates	1569486.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H32 F4 O8
Calculated formula	C36 H32 F4 O8
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	21.2891 ± 0.0004 Å
b	8.1032 ± 0.0001 Å
c	36.4586 ± 0.0007 Å
α	90°
β	90°
γ	90°
Cell volume	6289.47 ± 0.19 Å³
Cell temperature	173 ± 0.1 K
Ambient diffraction temperature	173 ± 0.1 K
Number of distinct elements	4
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.078
Residual factor for significantly intense reflections	0.0731
Weighted residual factors for significantly intense reflections	0.1888
Weighted residual factors for all reflections included in the refinement	0.1945
Goodness-of-fit parameter for all reflections included in the refinement	1.06
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.	1569486.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.	1569486.cif