Information card for entry 4511096

Structure parameters

• Formula: C42 H29 Br2 F3 N2
• Calculated formula: C42 H29 Br2 F3 N2
• Title of publication: Formation of Diquinoline Molecular Bricks and Their Assembly into Lattice Inclusion Compounds
• Authors of publication: Ashmore, Jason; Bishop, Roger; Craig, Donald C.; Scudder, Marcia L.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2009
• Journal volume: 9
• Journal issue: 6
• Pages of publication: 2742
• a: 10.033 ± 0.005 Å
• b: 10.55 ± 0.006 Å
• c: 16.886 ± 0.008 Å
• α: 100.35 ± 0.03°
• β: 92.45 ± 0.02°
• γ: 95.27 ± 0.02°
• Cell volume: 1747.6 ± 1.6 ų
• Cell temperature: 294 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.059
• Weighted residual factors for all reflections included in the refinement: 0.062
• Goodness-of-fit parameter for all reflections included in the refinement: 1.53
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No