Information card for entry 7160220

Structure parameters

• Formula: C20 H18 N2 O
• Calculated formula: C20 H18 N2 O
• Title of publication: Enantioselective synthesis of α-(3-pyrrolyl)methanamines with an aza-tetrasubstituted center under metal-free conditions.
• Authors of publication: Dolas, Atul Jankiram; Yadav, Jyothi; Nagare, Yadav Kacharu; Rangan, Krishnan; Iype, Eldhose; Kumar, Indresh
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2024
• Journal volume: 23
• Journal issue: 1
• Pages of publication: 98 - 102
• a: 15.2367 ± 0.0005 Å
• b: 15.2367 ± 0.0005 Å
• c: 18.0166 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 3622.3 ± 0.2 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 4
• Space group number: 145
• Hermann-Mauguin space group symbol: P 32
• Hall space group symbol: P 32
• Residual factor for all reflections: 0.0776
• Residual factor for significantly intense reflections: 0.067
• Weighted residual factors for significantly intense reflections: 0.1747
• Weighted residual factors for all reflections included in the refinement: 0.1859
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No