Information card for entry 7150115

Structure parameters

• Formula: C12 H18 Br2
• Calculated formula: C12 H18 Br2
• Title of publication: An extensive study of bromination of cis,trans,trans-1,5,9-cyclododecatriene: product structures and conformations.
• Authors of publication: Smith, Keith; Liu, Chia-Hui; El-Hiti, Gamal A; Kang, Gurvinder S.; Jones, Elfyn; Clement, Simon G.; Checquer, Alex D.; Howarth, Oliver W.; Hursthouse, Michael B.; Coles, Simon J.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2005
• Journal volume: 3
• Journal issue: 10
• Pages of publication: 1880 - 1892
• a: 7.733 Å
• b: 15.842 Å
• c: 10.62 Å
• α: 90°
• β: 102.83°
• γ: 90°
• Cell volume: 1268.53 ų
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for significantly intense reflections: 0.079
• Weighted residual factors for all reflections included in the refinement: 0.076
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: Mokalpha
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No