Information card for entry 1504740

Structure parameters

• Formula: C16 H17 N O4
• Calculated formula: C16 H17 N O4
• SMILES: O=C1N(C(=O)c2c1cccc2)C(=C\CCC)/C(=O)OCC
• Title of publication: A convenient synthesis and the asymmetric hydrogenation of N-phthaloyl dehydroamino acid esters.
• Authors of publication: Chen, Jian; Liu, Qiang; Zhang, Weicheng; Spinella, Stephen; Lei, Aiwen; Zhang, Xumu
• Journal of publication: Organic letters
• Year of publication: 2008
• Journal volume: 10
• Journal issue: 14
• Pages of publication: 3033 - 3036
• a: 24.1585 ± 0.0017 Å
• b: 9.1995 ± 0.0007 Å
• c: 15.4967 ± 0.0011 Å
• α: 90°
• β: 120.19 ± 0.002°
• γ: 90°
• Cell volume: 2976.9 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0509
• Residual factor for significantly intense reflections: 0.0461
• Weighted residual factors for significantly intense reflections: 0.1153
• Weighted residual factors for all reflections included in the refinement: 0.119
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No