Information card for entry 7109128

Structure parameters

• Formula: C21 H30 N2 O5
• Calculated formula: C21 H30 N2 O5
• SMILES: N([C@@H](c1ccccc1)C)C(=O)/C=C/[C@H](NC(=O)OC(C)(C)C)CCC(=O)OC
• Title of publication: delta-Unsaturated gamma-amino acids: enantiodivergent synthesis and cell imaging studies
• Authors of publication: Dnyaneshwar Kand; Dinesh Pratapsinh Chauhan; Mayurika Lahiri; Pinaki Talukdar
• Journal of publication: Chem.Commun.
• Year of publication: 2013
• Journal volume: 49
• Pages of publication: 3591
• a: 5.155 ± 0.003 Å
• b: 36.609 ± 0.018 Å
• c: 11.688 ± 0.006 Å
• α: 90°
• β: 102.638 ± 0.009°
• γ: 90°
• Cell volume: 2152 ± 2 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1369
• Residual factor for significantly intense reflections: 0.0632
• Weighted residual factors for significantly intense reflections: 0.12
• Weighted residual factors for all reflections included in the refinement: 0.1503
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No