Information card for entry 7151600

Structure parameters

• Formula: C25 H31 N O4
• Calculated formula: C25 H31 N O4
• SMILES: N([C@H]1[C@@H]([C@H](CC1)CC(=O)OC)C(=O)OC)([C@H](C)c1ccccc1)Cc1ccccc1
• Title of publication: Asymmetric synthesis of the stereoisomers of 2-amino-5-carboxymethyl-cyclopentane-1-carboxylate.
• Authors of publication: Urones, Julio G.; Garrido, Narciso M.; Díez, David; El Hammoumi, Mohamed M.; Dominguez, Sara H.; Antonio Casaseca, J.; Davies, Stephen G.; Smith, Andrew D.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2004
• Journal volume: 2
• Journal issue: 3
• Pages of publication: 364 - 372
• a: 18.064 ± 0.001 Å
• b: 13.961 ± 0.001 Å
• c: 9.143 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2305.8 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0483
• Residual factor for significantly intense reflections: 0.0457
• Weighted residual factors for all reflections: 0.1272
• Weighted residual factors for significantly intense reflections: 0.121
• Goodness-of-fit parameter for all reflections: 1.047
• Goodness-of-fit parameter for significantly intense reflections: 1.041
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No