Information card for entry 4028953

Structure parameters

• Formula: C19 H22 N2 O2
• Calculated formula: C19 H22 N2 O2
• SMILES: O=C(Nc1cc(cc(c1)C)C)[C@@H](N(C=O)C)Cc1ccccc1
• Title of publication: Asymmetric Reduction of Imines with Trichlorosilane, Catalyzed by Sigamide, an Amino Acid-Derived Formamide: Scope and Limitations†
• Authors of publication: Malkov, Andrei V.; Vranková, Kvetoslava; Stončius, Sigitas; Kočovský, Pavel
• Journal of publication: The Journal of Organic Chemistry
• Year of publication: 2009
• Journal volume: 74
• Journal issue: 16
• Pages of publication: 5839 - 5849
• a: 6.109 ± 0.0002 Å
• b: 9.86 ± 0.0004 Å
• c: 15.031 ± 0.0006 Å
• α: 75.552 ± 0.002°
• β: 81.201 ± 0.002°
• γ: 76.698 ± 0.002°
• Cell volume: 848.83 ± 0.06 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0593
• Residual factor for significantly intense reflections: 0.0463
• Weighted residual factors for significantly intense reflections: 0.1088
• Weighted residual factors for all reflections included in the refinement: 0.1152
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No