Information card for entry 1507673

Structure parameters

• Formula: C20 H30 N2 O5
• Calculated formula: C20 H30 N2 O5
• SMILES: O(C(=O)N1N(C(=O)OC(C)(C)C)C[C@@H](O)[C@@H]1Cc1ccccc1)C(C)(C)C.O(C(=O)N1N(C(=O)OC(C)(C)C)C[C@H](O)[C@H]1Cc1ccccc1)C(C)(C)C
• Title of publication: Organocatalytic sequential α-amination/Corey-Chaykovsky reaction of aldehydes: a high yield synthesis of 4-hydroxypyrazolidine derivatives.
• Authors of publication: Kumar, B. Senthil; Venkataramasubramanian, V.; Sudalai, Arumugam
• Journal of publication: Organic letters
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 10
• Pages of publication: 2468 - 2471
• a: 13.4858 ± 0.0004 Å
• b: 11.0668 ± 0.0003 Å
• c: 17.2464 ± 0.0007 Å
• α: 90°
• β: 123.609 ± 0.002°
• γ: 90°
• Cell volume: 2143.66 ± 0.13 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0774
• Residual factor for significantly intense reflections: 0.051
• Weighted residual factors for significantly intense reflections: 0.1156
• Weighted residual factors for all reflections included in the refinement: 0.135
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No