Information card for entry 1519076

Structure parameters

• Formula: C13 H12 Br4
• Calculated formula: C13 Br4
• SMILES: BrC1(Br)C[C@@H]1C[C@@]1(CC1(Br)Br)c1ccccc1.BrC1(Br)C[C@H]1C[C@]1(CC1(Br)Br)c1ccccc1
• Title of publication: Photochemical reduction of gem-dihalocyclopropanes. III. Debromination of some compounds containing two 1,1-dibromocyclopropane moieties
• Authors of publication: Leiv K. Sydnes; Hans H. Ovrebo; Thoralf Engebretsen
• Journal of publication: Acta Chemica Scandinavica
• Year of publication: 1999
• Journal volume: 53
• Pages of publication: 417 - 424
• a: 6.451 ± 0.001 Å
• b: 12.681 ± 0.003 Å
• c: 17.809 ± 0.004 Å
• α: 90°
• β: 95.82 ± 0.03°
• γ: 90°
• Cell volume: 1449.4 ± 0.5 ų
• Ambient diffraction temperature: 109 K
• Number of distinct elements: 3
• 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: 0.0443
• Weighted residual factors for significantly intense reflections: 0.1247
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No