Information card for entry 4102660

Structure parameters

• Formula: C28 H32 N2 O
• Calculated formula: C28 H32 N2 O
• SMILES: O(C[C@H]1N(/N=C/[C@](C(c2ccccc2)c2ccccc2)(C)c2ccccc2)CCC1)C
• Title of publication: Enantioselective Catalytic α-Alkylation of Aldehydes via an SN1 Pathway
• Authors of publication: Adam R. Brown; Wen-Hsin Kuo; Eric N. Jacobsen
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2010
• Journal volume: 132
• Pages of publication: 9286 - 9288
• a: 9.7107 ± 0.0004 Å
• b: 12.3459 ± 0.0005 Å
• c: 20.2414 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2426.69 ± 0.17 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 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: 0.0426
• Residual factor for significantly intense reflections: 0.0393
• Weighted residual factors for significantly intense reflections: 0.1023
• Weighted residual factors for all reflections included in the refinement: 0.1054
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No