Information card for entry 4037022

Structure parameters

• Formula: C23 H32 N4 O4
• Calculated formula: C23 H32 N4 O4
• SMILES: c12[nH]c3ccccc3c1C[C@H](N[C@@]12CN([C@H]1C(O)(C)C)C(=O)OC(C)(C)C)C(=O)NC
• Title of publication: Asymmetric Synthesis of 2-Substituted Azetidin-3-ones via Metalated SAMP/RAMP Hydrazones.
• Authors of publication: Pancholi, Alpa K.; Geden, Joanna V.; Clarkson, Guy J.; Shipman, Michael
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2016
• Journal volume: 81
• Journal issue: 17
• Pages of publication: 7984 - 7992
• a: 9.24482 ± 0.00004 Å
• b: 13.77957 ± 0.00005 Å
• c: 18.20928 ± 0.00009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2319.67 ± 0.017 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0287
• Residual factor for significantly intense reflections: 0.0283
• Weighted residual factors for significantly intense reflections: 0.0723
• Weighted residual factors for all reflections included in the refinement: 0.0727
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No