Information card for entry 4325711

Structure parameters

• Common name: sd102
• Chemical name: 2-Bromo-3-(2-bromophenyl)pyridine
• Formula: C11 H7 Br2 N
• Calculated formula: C11 H7 Br2 N
• SMILES: c1cccc(Br)c1c1cccnc1Br
• Title of publication: Azadibenzophospholes: Functional Building Blocks with Pronounced Electron-Acceptor Character
• Authors of publication: Stefan Durben; Thomas Baumgartner
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 6823 - 6836
• a: 7.0706 ± 0.0003 Å
• b: 10.6491 ± 0.0005 Å
• c: 14.1876 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1068.26 ± 0.07 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0487
• Residual factor for significantly intense reflections: 0.0389
• Weighted residual factors for significantly intense reflections: 0.0775
• Weighted residual factors for all reflections included in the refinement: 0.0866
• Goodness-of-fit parameter for all reflections included in the refinement: 1.144
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No