Crystallography Open Database

Information card for entry 1566198

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Coordinates	1566198.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C68 H48 F16 O8
Calculated formula	C68 H48 F16 O8
Title of publication	Nonspherical anion sequestration by C–H hydrogen bonding
Authors of publication	Mirzaei, Saber; Espinoza Castro, Victor M.; Hernández Sánchez, Raúl
Journal of publication	Chemical Science
Year of publication	2022
a	28.0557 ± 0.0013 Å
b	31.8586 ± 0.0013 Å
c	36.449 ± 0.0012 Å
α	90°
β	90°
γ	90°
Cell volume	32579 ± 2 Å³
Cell temperature	220 K
Ambient diffraction temperature	220 K
Number of distinct elements	4
Space group number	70
Hermann-Mauguin space group symbol	F d d d :2
Hall space group symbol	-F 2uv 2vw
Residual factor for all reflections	0.3117
Residual factor for significantly intense reflections	0.2524
Weighted residual factors for significantly intense reflections	0.5948
Weighted residual factors for all reflections included in the refinement	0.6582
Goodness-of-fit parameter for all reflections included in the refinement	2.369
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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