Crystallography Open Database

Information card for entry 1569503

Preview

Coordinates	1569503.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C49.5 H37 Cl1.5 F4 N8 O6 S6
Calculated formula	C49.5 H37 Cl1.5 F4 N8 O6 S6
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	10.6988 ± 0.0004 Å
b	17.9646 ± 0.0007 Å
c	27.0532 ± 0.0016 Å
α	90°
β	94.936 ± 0.005°
γ	90°
Cell volume	5180.3 ± 0.4 Å³
Cell temperature	172.99 ± 0.1 K
Ambient diffraction temperature	172.99 ± 0.1 K
Number of distinct elements	7
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.1504
Residual factor for significantly intense reflections	0.1297
Weighted residual factors for significantly intense reflections	0.295
Weighted residual factors for all reflections included in the refinement	0.3081
Goodness-of-fit parameter for all reflections included in the refinement	1.046
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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