Information card for entry 4024393

Structure parameters

• Formula: C13 H23 N O
• Calculated formula: C13 H23 N O
• SMILES: O[C@H]1[C@H]2C([C@@H](C[C@H]1N1CCCC1)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: 9.6721 ± 0.0007 Å
• b: 6.0987 ± 0.0004 Å
• c: 10.3902 ± 0.0008 Å
• α: 90°
• β: 105.755 ± 0.001°
• γ: 90°
• Cell volume: 589.86 ± 0.07 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0432
• Residual factor for significantly intense reflections: 0.0398
• Weighted residual factors for significantly intense reflections: 0.1051
• Weighted residual factors for all reflections included in the refinement: 0.1079
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No