Crystallography Open Database

Information card for entry 1569489

Preview

Coordinates	1569489.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H16 F8 O4
Calculated formula	C28 H16 F8 O4
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	17.2008 ± 0.0002 Å
b	8.132 ± 0.0001 Å
c	33.0797 ± 0.0003 Å
α	90°
β	91.243 ± 0.001°
γ	90°
Cell volume	4626 ± 0.09 Å³
Cell temperature	169.99 ± 0.11 K
Ambient diffraction temperature	169.99 ± 0.11 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	I 1 2/a 1
Hall space group symbol	-I 2ya
Residual factor for all reflections	0.0396
Residual factor for significantly intense reflections	0.0367
Weighted residual factors for significantly intense reflections	0.1005
Weighted residual factors for all reflections included in the refinement	0.1025
Goodness-of-fit parameter for all reflections included in the refinement	1.049
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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