Information card for entry 4025217

Structure parameters

• Formula: C24 H35 N O3
• Calculated formula: C24 H35 N O3
• SMILES: O([C@@H]1CCC[C@]21CCC[C@H]2NC(=O)C(C)(C)C)C(=O)[C@@H]1C(=C)[C@H]2CC[C@@H]1C=C2.O([C@H]1CCC[C@@]21CCC[C@@H]2NC(=O)C(C)(C)C)C(=O)[C@H]1C(=C)[C@@H]2CC[C@H]1C=C2
• Title of publication: Diastereoselective Diels-Alder Reactions with an Allenyl-Containing Spiro-Amido Chiral Auxiliary
• Authors of publication: Jeff R. Henderson; Julian P. Chesterman; Masood Parvez; Brian A. Keay
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2010
• Journal volume: 75
• Pages of publication: 988 - 991
• a: 20.4898 ± 0.0007 Å
• b: 19.6511 ± 0.0007 Å
• c: 10.7957 ± 0.0003 Å
• α: 90°
• β: 93.122 ± 0.002°
• γ: 90°
• Cell volume: 4340.4 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1412
• Residual factor for significantly intense reflections: 0.1035
• Weighted residual factors for significantly intense reflections: 0.2455
• Weighted residual factors for all reflections included in the refinement: 0.2781
• Goodness-of-fit parameter for all reflections included in the refinement: 1.14
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No