Information card for entry 2211840

Structure parameters

• Chemical name: 3-(3-Hydroxyanilino)-1,3-diphenylprop-2-en-1-one
• Formula: C21 H17 N O2
• Calculated formula: C21 H17 N O2
• SMILES: c1ccccc1C(=O)C=C(Nc1cc(ccc1)O)c1ccccc1
• Title of publication: 3-(3-Hydroxyanilino)-1,3-diphenylprop-2-en-1-one
• Authors of publication: Yao-Cheng Shi; Su-Hua Zhang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 1
• Pages of publication: o138 - o140
• a: 7.1855 ± 0.0005 Å
• b: 24.4898 ± 0.0019 Å
• c: 37.352 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6572.9 ± 0.9 ų
• Cell temperature: 193 K
• Ambient diffraction temperature: 193 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1064
• Residual factor for significantly intense reflections: 0.0865
• Weighted residual factors for significantly intense reflections: 0.156
• Weighted residual factors for all reflections included in the refinement: 0.1631
• Goodness-of-fit parameter for all reflections included in the refinement: 1.297
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes