Information card for entry 2007370

Structure parameters

• Chemical name: 1-naphthylamino-2-benzoyl-3-phenyl-3-hydroxy-2-propene-1-one
• Formula: C26 H19 N O3
• Calculated formula: C26 H19 N O3
• SMILES: N(c1cccc2ccccc12)C(=O)C(C(=O)c1ccccc1)=C(O)c1ccccc1
• Title of publication: 2-Benzoyl-3-hydroxy-1-naphthylamino-3-phenyl-2-propen-1-one
• Authors of publication: Sema Öztürk; Hoong-Kun Fun; Mehmet Akkurt; Mehmet Sönmez; Kandasamy Chinnakali
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 6
• Pages of publication: IUC9800023
• a: 9.9862 ± 0.0005 Å
• b: 12.3722 ± 0.0005 Å
• c: 16.0829 ± 0.0007 Å
• α: 90°
• β: 92.777 ± 0.002°
• γ: 90°
• Cell volume: 1984.73 ± 0.15 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1538
• Residual factor for significantly intense reflections: 0.0667
• Weighted residual factors for all reflections: 0.1555
• Weighted residual factors for significantly intense reflections: 0.1192
• Goodness-of-fit parameter for all reflections: 1.033
• Goodness-of-fit parameter for significantly intense reflections: 1.143
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No