Information card for entry 7218337

Structure parameters

• Formula: C21 H14 O3
• Calculated formula: C21 H14 O3
• SMILES: O1c2cccc3c2C(OC)(c2c1ccc1ccccc21)C(=O)C=C3
• Title of publication: Oxidative Coupling of 2-Naphthol by Zeolite-Y Supported Homo and Heterometallic Trinuclear Acetate Clusters
• Authors of publication: Das, Sameeran Kr.; Mahanta, Sanjeev Pran; Bania, Kusum Kumar
• Journal of publication: RSC Adv.
• Year of publication: 2014
• a: 8.4034 ± 0.0002 Å
• b: 6.9101 ± 0.0002 Å
• c: 25.2649 ± 0.0005 Å
• α: 90°
• β: 91.635 ± 0.001°
• γ: 90°
• Cell volume: 1466.49 ± 0.06 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0459
• Residual factor for significantly intense reflections: 0.0405
• Weighted residual factors for significantly intense reflections: 0.1101
• Weighted residual factors for all reflections included in the refinement: 0.1148
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No