Information card for entry 7150503

Structure parameters

• Formula: C22 H10 Br6 N2
• Calculated formula: C22 H10 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: 9.212 ± 0.005 Å
• b: 15.384 ± 0.006 Å
• c: 17.735 ± 0.007 Å
• α: 90°
• β: 111.75 ± 0.02°
• γ: 90°
• Cell volume: 2334.4 ± 1.8 ų
• Cell temperature: 294 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.062
• Weighted residual factors for all reflections included in the refinement: 0.068
• Goodness-of-fit parameter for all reflections included in the refinement: 1.91
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No