Information card for entry 2217355

Structure parameters

• Chemical name: <i>N</i>-Cinnamoyl-L-phenylalanine methyl ester
• Formula: C19 H19 N O3
• Calculated formula: C19 H19 N O3
• SMILES: O=C(N[C@@H](Cc1ccccc1)C(=O)OC)/C=C/c1ccccc1
• Title of publication: <i>N</i>-Cinnamoyl-<small>L</small>-phenylalanine 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: 2008
• Journal volume: 64
• Journal issue: 1
• Pages of publication: o139 - o139
• a: 15.041 ± 0.003 Å
• b: 22.55 ± 0.004 Å
• c: 4.9896 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1692.3 ± 0.7 ų
• Cell temperature: 295.1 K
• Ambient diffraction temperature: 295 ± 2 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: 0.1374
• Residual factor for significantly intense reflections: 0.0407
• Weighted residual factors for significantly intense reflections: 0.0946
• Weighted residual factors for all reflections included in the refinement: 0.1253
• Goodness-of-fit parameter for all reflections included in the refinement: 0.937
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes