Information card for entry 1506620

Structure parameters

• Formula: C15 H23 N O
• Calculated formula: C15 H23 N O
• SMILES: N1(C(C)(C)C)[C@@H](C(O)(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: 16.412 ± 0.001 Å
• b: 5.944 ± 0.001 Å
• c: 14.762 ± 0.001 Å
• α: 90°
• β: 95.14 ± 0.01°
• γ: 90°
• Cell volume: 1434.3 ± 0.3 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 4
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0493
• Residual factor for significantly intense reflections: 0.0453
• Weighted residual factors for significantly intense reflections: 0.1278
• Weighted residual factors for all reflections included in the refinement: 0.1315
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No