Information card for entry 7105403

Structure parameters

• Formula: C16 H25 N O2
• Calculated formula: C16 H25 N O2
• SMILES: C(N(C(C)(C)C)=O)[C@H]([C@@](c1ccccc1)(OC)C)C.C(N(C(C)(C)C)=O)[C@@H]([C@](c1ccccc1)(OC)C)C
• Title of publication: N-Trimethylsilyloxyenamines as new aldehyde enolate synthons: general, efficient and diastereoselective aldol reaction with ketals and acetals
• Authors of publication: Sonawane, Manoj R.; Císařová, Ivana; Lyapkalo, Ilya M.
• Journal of publication: Chemical Communications (Cambridge, United Kingdom)
• Year of publication: 2010
• Journal volume: 46
• Journal issue: 15
• Pages of publication: 2656 - 2658
• a: 5.9484 ± 0.0002 Å
• b: 8.4271 ± 0.0003 Å
• c: 15.9289 ± 0.0005 Å
• α: 93.4557 ± 0.0015°
• β: 95.3665 ± 0.0018°
• γ: 106.377 ± 0.0017°
• Cell volume: 759.58 ± 0.04 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0429
• Residual factor for significantly intense reflections: 0.0373
• Weighted residual factors for significantly intense reflections: 0.0979
• Weighted residual factors for all reflections included in the refinement: 0.1016
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No