Information card for entry 4024394

Structure parameters

• Formula: C14 H25 N O
• Calculated formula: C14 H25 N O
• SMILES: O[C@H]1[C@H]2C([C@@H](C[C@H]1N1CCCCC1)C2)(C)C
• Title of publication: Dual Stereoselectivity in the Dialkylzinc Reaction Using (-)-β-Pinene Derived Amino Alcohol Chiral Auxiliaries
• Authors of publication: Caitlin M. Binder; April Bautista; Marek Zaidlewicz; Marek P. Krzemiński; Allen Oliver; Bakthan Singaram
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2009
• Journal volume: 74
• Pages of publication: 2337 - 2343
• a: 6.1721 ± 0.0006 Å
• b: 10.284 ± 0.0011 Å
• c: 19.865 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1260.9 ± 0.2 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 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: 0.0388
• Residual factor for significantly intense reflections: 0.0328
• Weighted residual factors for significantly intense reflections: 0.0824
• Weighted residual factors for all reflections included in the refinement: 0.0865
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No