Information card for entry 1506527

Structure parameters

• Formula: C30 H32 N2 O5
• Calculated formula: C30 H32 N2 O5
• SMILES: O(C(=O)[C@@H](NC(=O)[C@@]1(C[C@H]1[C@H](NC(=O)OCc1ccccc1)c1ccccc1)C)Cc1ccccc1)C
• Title of publication: Three-component synthesis of alpha,beta-cyclopropyl-gamma-amino acids.
• Authors of publication: Wipf, Peter; Stephenson, Corey R. J.
• Journal of publication: Organic letters
• Year of publication: 2005
• Journal volume: 7
• Journal issue: 6
• Pages of publication: 1137 - 1140
• a: 10.4318 ± 0.0005 Å
• b: 14.7988 ± 0.0006 Å
• c: 35.7592 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5520.4 ± 0.4 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.135
• Residual factor for significantly intense reflections: 0.0673
• Weighted residual factors for significantly intense reflections: 0.1393
• Weighted residual factors for all reflections included in the refinement: 0.1639
• Goodness-of-fit parameter for all reflections included in the refinement: 0.95
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No