Information card for entry 2208546

Structure parameters

• Formula: C22 H18 O
• Calculated formula: C22 H18 O
• SMILES: c12ccccc1C[C@H]([C@@H]2c1ccccc1)C(=O)c1ccccc1.c12ccccc1C[C@@H]([C@H]2c1ccccc1)C(=O)c1ccccc1
• Title of publication: <i>trans</i>-2-Benzoyl-1-phenylindan
• Authors of publication: Vega, Daniel R.; Mufato, Jorge D.; Aguirre, Jose M.; Alesso, Elba N.; Lantaño, B.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 4
• Pages of publication: o1618 - o1620
• a: 9.085 ± 0.001 Å
• b: 5.981 ± 0.001 Å
• c: 30.091 ± 0.006 Å
• α: 90°
• β: 95.66 ± 0.03°
• γ: 90°
• Cell volume: 1627.1 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.0479
• Weighted residual factors for all reflections included in the refinement: 0.1005
• Goodness-of-fit parameter for all reflections included in the refinement: 0.851
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes