Information card for entry 4117874

Structure parameters

• Formula: C11 H15 Cl2 N
• Calculated formula: C11 H15 Cl2 N
• SMILES: c1(ccc(cc1)[C@@](C=C)(C)[NH2+]C)Cl.[Cl-]
• Title of publication: Intramolecular Vinylation of Secondary and Tertiary Organolithiums
• Authors of publication: Julien Lefranc; Anne M. Fournier; Gaëlle Mingat; Simon Herbert; Tommaso Marcelli; Jonathan Clayden
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2012
• Journal volume: 134
• Pages of publication: 7286 - 7289
• a: 6.7873 ± 0.0017 Å
• b: 7.4504 ± 0.0018 Å
• c: 24.01 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1214.1 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1401
• Residual factor for significantly intense reflections: 0.0868
• Weighted residual factors for significantly intense reflections: 0.0879
• Weighted residual factors for all reflections included in the refinement: 0.1014
• Goodness-of-fit parameter for all reflections included in the refinement: 0.961
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No