Crystallography Open Database

Information card for entry 1569490

Preview

Coordinates	1569490.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H24 F4 O8
Calculated formula	C32 H24 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	10.0405 ± 0.0001 Å
b	11.2749 ± 0.0002 Å
c	12.924 ± 0.0002 Å
α	104.28 ± 0.001°
β	105.195 ± 0.001°
γ	98.368 ± 0.001°
Cell volume	1333.29 ± 0.04 Å³
Cell temperature	172.99 ± 0.1 K
Ambient diffraction temperature	172.99 ± 0.1 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0396
Residual factor for significantly intense reflections	0.0384
Weighted residual factors for significantly intense reflections	0.1025
Weighted residual factors for all reflections included in the refinement	0.1035
Goodness-of-fit parameter for all reflections included in the refinement	1.053
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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