Information card for entry 2236198

Structure parameters

• Common name: 7-norbornyl <i>p</i>-bromobenzoate
• Chemical name: Bicyclo[2.2.1]hept-7-yl <i>p</i>-bromobenzoate
• Formula: C14 H15 Br O2
• Calculated formula: C14 H15 Br O2
• SMILES: O=C(OC1C2CCC1CC2)c1ccc(Br)cc1
• Title of publication: Bicyclo[2.2.1]hept-7-yl <i>p</i>-bromobenzoate
• Authors of publication: Lloyd, Barry A.; Arif, Atta M.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 11
• Pages of publication: o3086 - o3087
• a: 11.7401 ± 0.0002 Å
• b: 6.3767 ± 0.0001 Å
• c: 17.7462 ± 0.0003 Å
• α: 90°
• β: 109.584 ± 0.001°
• γ: 90°
• Cell volume: 1251.68 ± 0.04 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 4
• 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: 0.0294
• Residual factor for significantly intense reflections: 0.0224
• Weighted residual factors for significantly intense reflections: 0.0527
• Weighted residual factors for all reflections included in the refinement: 0.0552
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes