Information card for entry 2230757

Structure parameters

• Chemical name: 1-(bromomethyl)adamantane
• Formula: C11 H17 Br
• Calculated formula: C11 H17 Br
• Title of publication: 1-(Bromomethyl)adamantane
• Authors of publication: Černochová, Jarmila; Čablová, Andrea; Rouchal, Michal; Nečas, Marek; Vícha, Robert
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 7
• Pages of publication: o1820
• a: 10.725 ± 0.0003 Å
• b: 7.0066 ± 0.0003 Å
• c: 13.4479 ± 0.0004 Å
• α: 90°
• β: 101.801 ± 0.003°
• γ: 90°
• Cell volume: 989.19 ± 0.06 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 3
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.0177
• Residual factor for significantly intense reflections: 0.0167
• Weighted residual factors for significantly intense reflections: 0.0477
• Weighted residual factors for all reflections included in the refinement: 0.0478
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes