Information card for entry 1506057

Structure parameters

• Formula: C27 H34 Br N O3
• Calculated formula: C27 H34 Br N O3
• SMILES: Brc1ccc([C@@H](O)[C@H](/C=C(\OC(=O)N(C(C)C)C(C)C)C=C(C)C)c2ccccc2)cc1
• Title of publication: Asymmetric gamma-deprotonation and homoaldol reaction of 1,3-dien-2-yl carbamates: stereo- and regiochemistry.
• Authors of publication: Chedid, Roland Bou; Fröhlich, Roland; Hoppe, Dieter
• Journal of publication: Organic letters
• Year of publication: 2006
• Journal volume: 8
• Journal issue: 14
• Pages of publication: 3061 - 3064
• a: 9.914 ± 0.001 Å
• b: 14.093 ± 0.001 Å
• c: 38.171 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5333.2 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0512
• Residual factor for significantly intense reflections: 0.0478
• Weighted residual factors for significantly intense reflections: 0.1277
• Weighted residual factors for all reflections included in the refinement: 0.1315
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No