Crystallography Open Database

Information card for entry 7117943

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Coordinates	7117943.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C58 H72 F30 N8 P5
Calculated formula	C58 H72 F30 N8 P5
Title of publication	Viologen cyclophanes: redox controlled host-guest interactions
Authors of publication	Mathilde Berville; Lydia Karmazin; Jennifer A. Wytko; Jean Weiss
Journal of publication	Chem.Commun.
Year of publication	2015
Journal volume	51
Pages of publication	15772
a	11.8988 ± 0.0004 Å
b	21.8945 ± 0.0007 Å
c	25.6947 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	6693.9 ± 0.4 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	72
Hermann-Mauguin space group symbol	I b a m
Hall space group symbol	-I 2 2c
Residual factor for all reflections	0.0769
Residual factor for significantly intense reflections	0.0578
Weighted residual factors for significantly intense reflections	0.1522
Weighted residual factors for all reflections included in the refinement	0.1685
Goodness-of-fit parameter for all reflections included in the refinement	1.067
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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