Information card for entry 1506622

Structure parameters

• Formula: C16 H25 N O
• Calculated formula: C16 H25 N O
• SMILES: N1(C(C)(C)C)[C@H]([C@H](O)C(C)C)[C@@H]1c1ccccc1.N1(C(C)(C)C)[C@@H]([C@@H](O)C(C)C)[C@H]1c1ccccc1
• Title of publication: Diastereoselective one-step synthesis of functionalized cis-aziridinyl alcohols from oxiranyl carbaldimines.
• Authors of publication: Bilke, Julia Luzia; Dzuganova, Monika; Fröhlich, Roland; Würthwein, Ernst-Ulrich
• Journal of publication: Organic letters
• Year of publication: 2005
• Journal volume: 7
• Journal issue: 15
• Pages of publication: 3267 - 3270
• a: 10.981 ± 0.002 Å
• b: 11.422 ± 0.002 Å
• c: 13.65 ± 0.002 Å
• α: 86.71 ± 0.01°
• β: 68.26 ± 0.01°
• γ: 76.87 ± 0.01°
• Cell volume: 1548 ± 0.5 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 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: 0.0464
• Residual factor for significantly intense reflections: 0.0436
• Weighted residual factors for significantly intense reflections: 0.116
• Weighted residual factors for all reflections included in the refinement: 0.1193
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No