Information card for entry 4504866

Structure parameters

• Formula: C12 H7 Br2 N
• Calculated formula: C12 H7 Br2 N
• SMILES: Brc1cc2c([nH]c3c2cc(Br)cc3)cc1
• Title of publication: Design of Potentially Photorefractive Liquid Crystalline Materials: Derivatives of 3,6-Disubstituted Carbazole
• Authors of publication: Belloni, Maura; Kariuki, Benson M.; Manickam, M.; Wilkie, John; Preece, Jon A.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2005
• Journal volume: 5
• Journal issue: 4
• Pages of publication: 1443
• a: 11.902 ± 0.004 Å
• b: 11.061 ± 0.003 Å
• c: 3.9951 ± 0.0013 Å
• α: 90°
• β: 90.849 ± 0.007°
• γ: 90°
• Cell volume: 525.9 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0775
• Residual factor for significantly intense reflections: 0.0705
• Weighted residual factors for significantly intense reflections: 0.1759
• Weighted residual factors for all reflections included in the refinement: 0.1812
• Goodness-of-fit parameter for all reflections included in the refinement: 0.998
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No