Information card for entry 2238345

Structure parameters

• Chemical name: 2-(Diphenylmethylidene)-2,3-dihydro-1<i>H</i>-inden-1-one
• Formula: C22 H16 O
• Calculated formula: C22 H16 O
• SMILES: O=C1C(=C(c2ccccc2)c2ccccc2)Cc2c1cccc2
• Title of publication: 2-(Diphenylmethylidene)-2,3-dihydro-1<i>H</i>-inden-1-one
• Authors of publication: Zhang, Tao; Bandero, Vilmar; McCabe, Tom; Frankish, Neil; Sheridan, Helen
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 8
• Pages of publication: o1306 - o1307
• a: 9.1634 ± 0.0018 Å
• b: 17.57 ± 0.003 Å
• c: 10.717 ± 0.004 Å
• α: 90°
• β: 117.89 ± 0.02°
• γ: 90°
• Cell volume: 1525 ± 0.7 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0734
• Residual factor for significantly intense reflections: 0.0701
• Weighted residual factors for significantly intense reflections: 0.1437
• Weighted residual factors for all reflections included in the refinement: 0.1452
• Goodness-of-fit parameter for all reflections included in the refinement: 1.254
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes