Information card for entry 1506056

Structure parameters

• Formula: C24 H37 N O3
• Calculated formula: C24 H37 N O3
• SMILES: O(C(=C\[C@H]([C@@H](O)C(C)(C)C)c1ccccc1)/C=C/C)C(=O)N(C(C)C)C(C)C
• 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: 12.005 ± 0.001 Å
• b: 18.675 ± 0.001 Å
• c: 10.778 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2416.4 ± 0.3 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 4
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.0724
• Residual factor for significantly intense reflections: 0.0528
• Weighted residual factors for significantly intense reflections: 0.1182
• Weighted residual factors for all reflections included in the refinement: 0.1352
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No