Information card for entry 2220517

Structure parameters

• Common name: 1-Bromoadamantane
• Chemical name: 1-Bromoadamantane
• Formula: C10 H15 Br
• Calculated formula: C10 H15 Br
• SMILES: BrC12CC3CC(C2)CC(C1)C3
• Title of publication: 1-Bromoadamantane
• Authors of publication: Betz, Richard; Klüfers, Peter; Mayer, Peter
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 1
• Pages of publication: o101
• a: 10.154 ± 0.003 Å
• b: 6.8541 ± 0.0011 Å
• c: 13.24 ± 0.003 Å
• α: 90°
• β: 90.027 ± 0.017°
• γ: 90°
• Cell volume: 921.5 ± 0.4 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 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 all reflections: 0.0447
• Residual factor for significantly intense reflections: 0.0322
• Weighted residual factors for significantly intense reflections: 0.0729
• Weighted residual factors for all reflections included in the refinement: 0.0799
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes