Crystallography Open Database

Information card for entry 7150502

Preview

Coordinates	7150502.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H20 Br6 N2
Calculated formula	C30 H20 Br6 N2
Title of publication	Why a hexabromodiquinoline host preferentially includes small aromatic hydrocarbon guests
Authors of publication	Rahman, A. Noman M. M.; Bishop, Roger; Craig, Donald C.; Scudder, Marcia L.
Journal of publication	Organic & Biomolecular Chemistry
Year of publication	2003
Journal volume	1
Journal issue	8
Pages of publication	1435
a	9.596 ± 0.005 Å
b	12.682 ± 0.006 Å
c	13.545 ± 0.007 Å
α	107.47 ± 0.03°
β	96.61 ± 0.03°
γ	106.84 ± 0.02°
Cell volume	1467.6 ± 1.3 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	0.06
Weighted residual factors for all reflections included in the refinement	0.072
Goodness-of-fit parameter for all reflections included in the refinement	1.66
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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