Crystallography Open Database

Information card for entry 7117941

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Coordinates	7117941.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C37 H53 F18 N7 O6 P3
Calculated formula	C37 H53 F18 N7 O6 P3
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	24.2281 ± 0.0011 Å
b	16.2943 ± 0.0007 Å
c	25.5184 ± 0.0011 Å
α	90°
β	90°
γ	90°
Cell volume	10074.2 ± 0.8 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	64
Hermann-Mauguin space group symbol	C m c a
Hall space group symbol	-C 2ac 2
Residual factor for all reflections	0.1604
Residual factor for significantly intense reflections	0.1078
Weighted residual factors for significantly intense reflections	0.3235
Weighted residual factors for all reflections included in the refinement	0.3587
Goodness-of-fit parameter for all reflections included in the refinement	1.19
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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