Information card for entry 4033417

Structure parameters

• Formula: C22 H27 F N2 O4
• Calculated formula: C22 H27 F N2 O4
• SMILES: Fc1ccc(cc1)[C@@H]([C@@](NCc1ccccc1)(CC(C)C)C(=O)OC)CN(=O)=O.O(C(=O)[C@@](NCc1ccccc1)(CC(C)C)[C@H](CN(=O)=O)c1ccc(F)cc1)C
• Title of publication: Memory of Chirality Concept in Asymmetric Intermolecular Michael Addition of α-Amino Ester Enolates to Enones and Nitroalkenes.
• Authors of publication: Veeraswamy, Vadlamuri; Goswami, Gaurav; Mukherjee, Satobhisha; Ghosh, Koena; Saha, Manik Lal; Sengupta, Arunava; Ghorai, Manas K.
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2018
• Journal volume: 83
• Journal issue: 3
• Pages of publication: 1106 - 1115
• a: 11.123 ± 0.005 Å
• b: 11.216 ± 0.005 Å
• c: 18.015 ± 0.005 Å
• α: 104.581 ± 0.005°
• β: 101.069 ± 0.005°
• γ: 97.47 ± 0.005°
• Cell volume: 2096.7 ± 1.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1953
• Residual factor for significantly intense reflections: 0.0748
• Weighted residual factors for significantly intense reflections: 0.1221
• Weighted residual factors for all reflections included in the refinement: 0.1546
• Goodness-of-fit parameter for all reflections included in the refinement: 0.982
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No