Information card for entry 4035064

Structure parameters

• Common name: WP-20mL vial
• Formula: C24 H23 N O2
• Calculated formula: C24 H23 N O2
• SMILES: O1C(=O)[C@H](N([C@H](C1)Cc1ccccc1)Cc1ccccc1)c1ccccc1
• Title of publication: Asymmetric Synthesis of Chiral 1,2-Amino Alcohols and Morpholin-2-ones from Arylglyoxals.
• Authors of publication: Powell, Wyatt C.; Walczak, Maciej A.
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2018
• Journal volume: 83
• Journal issue: 17
• Pages of publication: 10487 - 10500
• a: 9.343 ± 0.008 Å
• b: 11.102 ± 0.009 Å
• c: 19.127 ± 0.016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1984 ± 3 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.0395
• Residual factor for significantly intense reflections: 0.0362
• Weighted residual factors for significantly intense reflections: 0.0949
• Weighted residual factors for all reflections included in the refinement: 0.098
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No