Crystallography Open Database

Information card for entry 1566205

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Coordinates	1566205.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C82 H85 F4 N3 O8
Calculated formula	C82 H85 F4 N3 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	11.9504 ± 0.0003 Å
b	12.9188 ± 0.0003 Å
c	24.0391 ± 0.0007 Å
α	99.832 ± 0.001°
β	96.529 ± 0.001°
γ	101.954 ± 0.001°
Cell volume	3534.42 ± 0.16 Å³
Cell temperature	220 K
Ambient diffraction temperature	220 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1253
Residual factor for significantly intense reflections	0.0979
Weighted residual factors for significantly intense reflections	0.2581
Weighted residual factors for all reflections included in the refinement	0.2819
Goodness-of-fit parameter for all reflections included in the refinement	1.086
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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