Information card for entry 2211959

Structure parameters

• Chemical name: N-Cinnamoyl-L-valine methyl ester
• Formula: C15 H19 N O3
• Calculated formula: C15 H19 N O3
• SMILES: O=C(N[C@@H](C(C)C)C(=O)OC)/C=C/c1ccccc1
• Title of publication: <i>N</i>-Cinnamoyl-<small>L</small>-valine methyl ester
• Authors of publication: Laurent F. Bornaghi; Sally-Ann Poulsen; Peter C. Healy; Alan R. White
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 1
• Pages of publication: o44 - o46
• a: 9.979 ± 0.002 Å
• b: 17.899 ± 0.003 Å
• c: 8.2712 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1477.4 ± 0.5 ų
• Cell temperature: 295 K
• Ambient diffraction temperature: 295 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: 0.117
• Residual factor for significantly intense reflections: 0.048
• Weighted residual factors for significantly intense reflections: 0.126
• Weighted residual factors for all reflections included in the refinement: 0.16
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes