Crystallography Open Database

Information card for entry 4130230

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Coordinates	4130230.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C76 H58 F24 N6 P4
Calculated formula	C76 H58 F24 N6 P4
Title of publication	Cooperative Reactivity in an Extended-Viologen-Based Cyclophane.
Authors of publication	Dale, Edward J.; Ferris, Daniel P.; Vermeulen, Nicolaas A.; Henkelis, James J.; Popovs, Ilja; Juríček, Michal; Barnes, Jonathan C.; Schneebeli, Severin T.; Stoddart, J. Fraser
Journal of publication	Journal of the American Chemical Society
Year of publication	2016
Journal volume	138
Journal issue	11
Pages of publication	3667 - 3670
a	24.3589 ± 0.0017 Å
b	16.5544 ± 0.0012 Å
c	10.64 ± 0.0007 Å
α	90°
β	108.44 ± 0.003°
γ	90°
Cell volume	4070.3 ± 0.5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 K
Number of distinct elements	5
Space group number	12
Hermann-Mauguin space group symbol	C 1 2/m 1
Hall space group symbol	-C 2y
Residual factor for all reflections	0.1111
Residual factor for significantly intense reflections	0.1068
Weighted residual factors for significantly intense reflections	0.2911
Weighted residual factors for all reflections included in the refinement	0.2955
Goodness-of-fit parameter for all reflections included in the refinement	1.08
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
240741 (current)	2019-11-25	cif/ Adding structures of 4130230 via cif-deposit CGI script.	4130230.cif