Crystallography Open Database

Information card for entry 1569505

Preview

Coordinates	1569505.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C43.67 H35.67 Cl5 N8 O6 S2
Calculated formula	C43.6667 H35.6667 Cl5 N8 O6 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	21.6918 ± 0.0002 Å
b	21.6918 ± 0.0002 Å
c	24.6601 ± 0.0002 Å
α	90°
β	90°
γ	120°
Cell volume	10048.9 ± 0.15 Å³
Cell temperature	172.99 ± 0.1 K
Ambient diffraction temperature	172.99 ± 0.1 K
Number of distinct elements	6
Space group number	146
Hermann-Mauguin space group symbol	R 3 :H
Hall space group symbol	R 3
Residual factor for all reflections	0.0559
Residual factor for significantly intense reflections	0.0554
Weighted residual factors for significantly intense reflections	0.1649
Weighted residual factors for all reflections included in the refinement	0.1658
Goodness-of-fit parameter for all reflections included in the refinement	1.041
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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