Information card for entry 7119486

Structure parameters

• Chemical name: Ethyl 5-hydroxy-12-phenyltetraphene-6-carboxylate
• Formula: C27 H24 O3
• Calculated formula: C27 H24 O3
• SMILES: c1(c(c2ccccc2c2c1cc1CCCCc1c2c1ccccc1)O)C(=O)OCC
• 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: 5.7885 ± 0.0004 Å
• b: 10.4613 ± 0.0008 Å
• c: 16.3808 ± 0.0012 Å
• α: 92.216 ± 0.001°
• β: 97.607 ± 0.001°
• γ: 92.531 ± 0.001°
• Cell volume: 981.26 ± 0.12 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0455
• Residual factor for significantly intense reflections: 0.0392
• Weighted residual factors for significantly intense reflections: 0.1062
• Weighted residual factors for all reflections included in the refinement: 0.1115
• Goodness-of-fit parameter for all reflections included in the refinement: 0.977
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No