Information card for entry 2236408

Structure parameters

• Chemical name: (2<i>E</i>)-2-(2,3-dihydro-1<i>H</i>-inden-1-ylidene)-2,3-dihydro-1<i>H</i>- inden-1-one
• Formula: C18 H14 O
• Calculated formula: C18 H14 O
• SMILES: C1(=O)c2ccccc2C/C1=C1\c2ccccc2CC1
• Title of publication: Orthorhombic polymorph of (2<i>E</i>)-2-(2,3-dihydro-1<i>H</i>-inden-1-ylidene)-2,3-dihydro-1<i>H</i>-inden-1-one
• Authors of publication: Li, Hairong; Fronczek, Frank R.; Watkins, Steven F.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 9
• Pages of publication: o2756
• a: 5.291 ± 0.002 Å
• b: 17.809 ± 0.005 Å
• c: 26.622 ± 0.009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2508.5 ± 1.5 ų
• Cell temperature: 123 ± 0.5 K
• Ambient diffraction temperature: 123 ± 0.5 K
• Cell measurement pressure: 101.3 kPa
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for significantly intense reflections: 0.0569
• Weighted residual factors for all reflections included in the refinement: 0.1104
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes