Information card for entry 2214773

Structure parameters

• Common name: <i>(rac)</i>-5-methoxy-3-phenyl-2,3-dihydro-1H-inden-1-one
• Chemical name: <i>(rac)</i>-5-methoxy-3-phenyl-2,3-dihydro-1H-inden-1-one
• Formula: C16 H14 O2
• Calculated formula: C16 H14 O2
• SMILES: O(c1cc2c(cc1)C(=O)CC2c1ccccc1)C
• Title of publication: <i>rac</i>-5-Methoxy-3-phenyl-2,3-dihydro-1<i>H</i>-inden-1-one
• Authors of publication: Zhe Li; Jian-Hua Xu; Mohd Mustaqim Rosli; Hoong-Kun Fun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 8
• Pages of publication: o3435 - o3435
• a: 8.3603 ± 0.0004 Å
• b: 6.4935 ± 0.0003 Å
• c: 23.1904 ± 0.0011 Å
• α: 90°
• β: 99.106 ± 0.002°
• γ: 90°
• Cell volume: 1243.09 ± 0.1 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 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: 0.0684
• Residual factor for significantly intense reflections: 0.0471
• Weighted residual factors for significantly intense reflections: 0.1082
• Weighted residual factors for all reflections included in the refinement: 0.1247
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes