Crystallography Open Database

Information card for entry 4120292

4120291 << 4120292 >> 4120293

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Coordinates	4120292.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C66 H66 N35 O17
Calculated formula	C65.991 H63.992 N34.9985 O17
Title of publication	Photocontrol over Cucurbit[8]uril Complexes: Stoichiometry and Supramolecular Polymers
Authors of publication	Jesús del Barrio; Peter N. Horton; Didier Lairez; Gareth O. Lloyd; Chris Toprakcioglu; Oren A. Scherman
Journal of publication	Journal of the American Chemical Society
Year of publication	2013
Journal volume	135
Pages of publication	11760 - 11763
a	39.136 ± 0.008 Å
b	39.136 ± 0.008 Å
c	26.968 ± 0.006 Å
α	90°
β	90°
γ	120°
Cell volume	35771 ± 13 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	146
Hermann-Mauguin space group symbol	R 3 :H
Hall space group symbol	R 3
Residual factor for all reflections	0.1104
Residual factor for significantly intense reflections	0.0925
Weighted residual factors for significantly intense reflections	0.2643
Weighted residual factors for all reflections included in the refinement	0.2904
Goodness-of-fit parameter for all reflections included in the refinement	1.101
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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