Crystallography Open Database

Information card for entry 1569497

Preview

Coordinates	1569497.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C70 H55.5 F8 N10.5 O11 S2
Calculated formula	C70 H55.5 F8 N10.5 O11 S2
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	11.22933 ± 0.00019 Å
b	23.1073 ± 0.0006 Å
c	13.31714 ± 0.00019 Å
α	90°
β	90.7038 ± 0.0014°
γ	90°
Cell volume	3455.26 ± 0.12 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.1012
Residual factor for significantly intense reflections	0.0962
Weighted residual factors for significantly intense reflections	0.2736
Weighted residual factors for all reflections included in the refinement	0.2803
Goodness-of-fit parameter for all reflections included in the refinement	1.082
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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