Information card for entry 1503446

Structure parameters

• Formula: C13 H25 N O2
• Calculated formula: C13 H25 N O2
• SMILES: C(C)(C)[C@@H](O)[C@@](C)(C[C@H](O)C(C)(C)C)C#N.C(C)(C)[C@H](O)[C@](C)(C[C@@H](O)C(C)(C)C)C#N
• Title of publication: Gamma-hydroxynitrile alkylations: electrophile-dependent stereoselectivity.
• Authors of publication: Mycka, Robert J.; Steward, Omar W.; Fleming, Fraser F.
• Journal of publication: Organic letters
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 13
• Pages of publication: 3030 - 3033
• a: 6.4938 ± 0.0005 Å
• b: 10.5697 ± 0.0008 Å
• c: 20.8128 ± 0.0015 Å
• α: 91.968 ± 0.005°
• β: 91.78 ± 0.005°
• γ: 99.199 ± 0.003°
• Cell volume: 1408.37 ± 0.18 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0573
• Residual factor for significantly intense reflections: 0.0396
• Weighted residual factors for significantly intense reflections: 0.0898
• Weighted residual factors for all reflections included in the refinement: 0.1014
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No