Information card for entry 2219040

Structure parameters

• Common name: N-acryloylphenylalanie
• Chemical name: <i>N</i>-Acryloylphenylalanine
• Formula: C12 H13 N O3
• Calculated formula: C12 H13 N O3
• SMILES: N([C@H](Cc1ccccc1)C(=O)O)C(=O)C=C
• Title of publication: <i>N</i>-Acryloylphenylalanine
• Authors of publication: Wu, Cong-Ren; Gao, Xiao-Feng; Wang, Hai-Bo; Jin, Dong; Wang, Jin-Tang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 8
• Pages of publication: o1483
• a: 6.005 ± 0.0012 Å
• b: 7.582 ± 0.0015 Å
• c: 12.512 ± 0.003 Å
• α: 90°
• β: 98.58 ± 0.03°
• γ: 90°
• Cell volume: 563.3 ± 0.2 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0744
• Residual factor for significantly intense reflections: 0.0622
• Weighted residual factors for significantly intense reflections: 0.1453
• Weighted residual factors for all reflections included in the refinement: 0.1607
• 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: Yes