Information card for entry 2201087

Structure parameters

• Common name: 2-(p-methylbenzylindene)-1-indanone
• Chemical name: 2-(p-methylbenzylindene)-1-indanone
• Formula: C17 H14 O
• Calculated formula: C17 H14 O
• SMILES: O=C1/C(=C/c2ccc(cc2)C)Cc2ccccc12
• Title of publication: 2-(<i>p</i>-Methylbenzylidene)-1-indanone
• Authors of publication: A. Abdul Ajees; S. Manikandan; R. Raghunathan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 5
• Pages of publication: o535 - o537
• a: 13.919 ± 0.002 Å
• b: 14.457 ± 0.003 Å
• c: 6.308 ± 0.001 Å
• α: 90°
• β: 95.07 ± 0.02°
• γ: 90°
• Cell volume: 1264.4 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.253
• Residual factor for significantly intense reflections: 0.065
• Weighted residual factors for significantly intense reflections: 0.138
• Weighted residual factors for all reflections included in the refinement: 0.197
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes