Information card for entry 4035063

Structure parameters

• Common name: WP-4-105
• Formula: C25 H25 N O3
• Calculated formula: C25 H25 N O3
• SMILES: O1C(=O)[C@@H](N([C@@H]([C@H]1c1ccccc1)C)C)c1ccc(OCc2ccccc2)cc1
• 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: 8.4828 ± 0.0015 Å
• b: 9.5212 ± 0.0016 Å
• c: 25.663 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2072.7 ± 0.6 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: 0.0574
• Residual factor for significantly intense reflections: 0.0445
• Weighted residual factors for significantly intense reflections: 0.0959
• Weighted residual factors for all reflections included in the refinement: 0.1007
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No