Information card for entry 1503445

Structure parameters

• Formula: C10 H15 N O2
• Calculated formula: C10 H15 N O2
• SMILES: O1[C@H](C(C)(C)C)C[C@@](C#N)(C1=O)C.O1[C@@H](C(C)(C)C)C[C@@](C1=O)(C#N)C
• 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: 10.557 ± 0.007 Å
• b: 10.13 ± 0.006 Å
• c: 10.861 ± 0.007 Å
• α: 90°
• β: 110.844 ± 0.01°
• γ: 90°
• Cell volume: 1085.5 ± 1.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 n 1
• Hall space group symbol: P -2yac
• Residual factor for all reflections: 0.1505
• Residual factor for significantly intense reflections: 0.1262
• Weighted residual factors for significantly intense reflections: 0.3396
• Weighted residual factors for all reflections included in the refinement: 0.3586
• Goodness-of-fit parameter for all reflections included in the refinement: 1.381
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No