Information card for entry 1546424

Structure parameters

• Common name: PD-VII-236
• Formula: C17 H21 N O
• Calculated formula: C17 H21 N O
• SMILES: O[C@](C[C@H](N)c1ccccc1)(CC)c1ccccc1.O[C@@](C[C@@H](N)c1ccccc1)(CC)c1ccccc1
• Title of publication: Umpolung Synthesis of 1,3-Amino Alcohols: Stereoselective Addition of 2-Azaallyl Anions to Epoxides.
• Authors of publication: Daniel, Paige E.; Weber, Alexandria E.; Malcolmson, Steven J.
• Journal of publication: Organic letters
• Year of publication: 2017
• Journal volume: 19
• Journal issue: 13
• Pages of publication: 3490 - 3493
• a: 7.8871 ± 0.0004 Å
• b: 9.2527 ± 0.0005 Å
• c: 10.7496 ± 0.0006 Å
• α: 70.765 ± 0.003°
• β: 76.025 ± 0.003°
• γ: 77.074 ± 0.003°
• Cell volume: 709.81 ± 0.07 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0539
• Residual factor for significantly intense reflections: 0.0416
• Weighted residual factors for significantly intense reflections: 0.113
• Weighted residual factors for all reflections included in the refinement: 0.1223
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No