Crystallography Open Database

Information card for entry 1566197

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Coordinates	1566197.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C82 H82 Cl4 F8 N2 O8
Calculated formula	C82 H82 Cl4 F8 N2 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	33.1351 ± 0.0006 Å
b	12.8854 ± 0.0002 Å
c	23.6066 ± 0.0007 Å
α	90°
β	131.764 ± 0.001°
γ	90°
Cell volume	7517.9 ± 0.3 Å³
Cell temperature	230 ± 2 K
Ambient diffraction temperature	230 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1454
Residual factor for significantly intense reflections	0.1332
Weighted residual factors for significantly intense reflections	0.4235
Weighted residual factors for all reflections included in the refinement	0.4483
Goodness-of-fit parameter for all reflections included in the refinement	2.104
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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