Information card for entry 4107750

Structure parameters

• Formula: C19 H21 N O3
• Calculated formula: C19 H21 N O3
• SMILES: c1c2c(C(=O)N3[C@H](C(=O)OC3(C)C)C(C)C)cccc2ccc1
• Title of publication: Tertiary Aromatic Amide for Memory of Chirality: Access to Enantioenriched α-Substituted Valine
• Authors of publication: Mathieu Branca; Didier Gori; Régis Guillot; Valérie Alezra; Cyrille Kouklovsky
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2008
• Journal volume: 130
• Pages of publication: 5864 - 5865
• a: 11.7576 ± 0.0007 Å
• b: 12.0196 ± 0.0007 Å
• c: 24.3109 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3435.7 ± 0.4 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 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: 0.0592
• Residual factor for significantly intense reflections: 0.0445
• Weighted residual factors for significantly intense reflections: 0.1007
• Weighted residual factors for all reflections included in the refinement: 0.1083
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No