Crystallography Open Database

Information card for entry 1566201

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Coordinates	1566201.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C82 H89 N3 O8
Calculated formula	C82 H89 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	11.9327 ± 0.0003 Å
b	12.8148 ± 0.0003 Å
c	24.0608 ± 0.0005 Å
α	100.145 ± 0.001°
β	96.381 ± 0.001°
γ	102.831 ± 0.001°
Cell volume	3487.76 ± 0.14 Å³
Cell temperature	220 K
Ambient diffraction temperature	220 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	0.17
Residual factor for significantly intense reflections	0.1539
Weighted residual factors for significantly intense reflections	0.4797
Weighted residual factors for all reflections included in the refinement	0.5052
Goodness-of-fit parameter for all reflections included in the refinement	2.333
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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