Crystallography Open Database

Information card for entry 7216566

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Coordinates	7216566.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C80 H52 Br12 N6
Calculated formula	C80 H46 Br12 N6
Title of publication	Preparation of solvent-free clathrand structures by the exclusion of an unwelcome guest
Authors of publication	Bishop, Roger; Rahman, A. Noman M. M.; Ashmore, Jason; Craig, Donald C.; Scudder, Marcia L.
Journal of publication	CrystEngComm
Year of publication	2002
Journal volume	4
Journal issue	101
Pages of publication	605
a	13.164 ± 0.003 Å
b	13.998 ± 0.004 Å
c	20.75 ± 0.006 Å
α	79.08 ± 0.02°
β	79.91 ± 0.02°
γ	80.14 ± 0.02°
Cell volume	3658.4 ± 1.7 Å³
Cell temperature	294 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for significantly intense reflections	0.052
Weighted residual factors for all reflections included in the refinement	0.057
Goodness-of-fit parameter for all reflections included in the refinement	1.64
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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