Information card for entry 7150500

Structure parameters

• Formula: C31 H19 Br6 N2
• Calculated formula: C31 H19 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: 9.589 ± 0.006 Å
• b: 13.179 ± 0.007 Å
• c: 13.454 ± 0.007 Å
• α: 110.43 ± 0.03°
• β: 100.31 ± 0.03°
• γ: 101.43 ± 0.03°
• Cell volume: 1503.6 ± 1.5 ų
• 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: 0.043
• Weighted residual factors for all reflections included in the refinement: 0.051
• Goodness-of-fit parameter for all reflections included in the refinement: 1.6
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No