Information card for entry 7119483

Structure parameters

• Chemical name: 11-Benzoyl-6-hydroxytetracen-5(12H)-one
• Formula: C25 H16 O3
• Calculated formula: C25 H16 O3
• SMILES: C1(=O)c2ccccc2Cc2c(c3ccccc3c(c12)O)C(=O)c1ccccc1
• Title of publication: Synthesis of 1,2,3,4-tetrasubstituted naphthalenes through a cascade reaction triggered by silyl acetal activation
• Authors of publication: Hikaru; Yanai; Nobuyuki; Ishii; Takashi; Matsumoto
• Journal of publication: Chem.Commun.
• Year of publication: 2016
• Journal volume: 52
• Pages of publication: 7974
• a: 25.507 ± 0.004 Å
• b: 8.1552 ± 0.0014 Å
• c: 16.661 ± 0.003 Å
• α: 90°
• β: 92.869 ± 0.002°
• γ: 90°
• Cell volume: 3461.4 ± 1 ų
• Cell temperature: 90 K
• Ambient diffraction temperature: 90 K
• Number of distinct elements: 3
• 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: 0.0464
• Residual factor for significantly intense reflections: 0.0357
• Weighted residual factors for significantly intense reflections: 0.0868
• Weighted residual factors for all reflections included in the refinement: 0.0925
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No