Information card for entry 2204847

Structure parameters

• Common name: N-(2-Hydroxy-1-naphthalidene)phenylalanine
• Chemical name: (2-carboxy-1-phenylethyl)iminiomethylene-1-naphth-2-olate
• Formula: C20 H17 N O3
• Calculated formula: C20 H17 N O3
• SMILES: [O-]c1ccc2ccccc2c1\C=[NH+]/C(CC(=O)O)c1ccccc1
• Title of publication: 1-[(2-Carboxy-1-phenylethyl)iminiomethylene]naphth-2-olate
• Authors of publication: Gao, Shan; Huo, Li-Hua; Zhao, Hui; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 1
• Pages of publication: o192 - o194
• a: 25.152 ± 0.005 Å
• b: 9.76 ± 0.002 Å
• c: 15.557 ± 0.003 Å
• α: 90°
• β: 123.01 ± 0.03°
• γ: 90°
• Cell volume: 3202.5 ± 1.6 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.075
• Residual factor for significantly intense reflections: 0.048
• Weighted residual factors for significantly intense reflections: 0.115
• Weighted residual factors for all reflections included in the refinement: 0.127
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes