Information card for entry 1559532

Structure parameters

• Common name: 2-bromomethyl-1,1-dichloro-2-phenylcyclopropane
• Formula: C10 H9 Br Cl2
• Calculated formula: C10 Br Cl2
• SMILES: BrCC1(C(Cl)(Cl)C1)c1ccccc1
• Title of publication: Long-Range NMR Coupling between a Cyclopropyl Proton and a Proton next to the Ring in a Number of 2,2-Disubstituted 1,1-Dihalocyclopropanes
• Authors of publication: Sydnes, Leiv K.; Pettersen, Anita; Drablos, Finn; Romming, Christian
• Journal of publication: Acta Chemica Scandinavica
• Year of publication: 1991
• Journal volume: 45
• Pages of publication: 902 - 913
• a: 9.263 ± 0.002 Å
• b: 11.423 ± 0.002 Å
• c: 20.091 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2125.9 ± 0.7 ų
• Ambient diffraction temperature: 138 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for significantly intense reflections: 0.048
• Weighted residual factors for significantly intense reflections: 0.05
• Goodness-of-fit parameter for all reflections included in the refinement: 1.81
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No