Information card for entry 2000721

Structure parameters

• Chemical name: 2-(4-methylphenyl)-1H-indene-1,3(2H)-dione
• Formula: C16 H12 O2
• Calculated formula: C16 H12 O2
• SMILES: O=C1C(c2ccc(cc2)C)C(=O)c2c1cccc2
• Title of publication: Structure of 2-(4-methylphenyl)-1<i>H</i>-indene-1,3(2<i>H</i>)-dione
• Authors of publication: Kolev, T.; Preut, H.; Bleckmann, P.; Juchnovski, I.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1992
• Journal volume: 48
• Journal issue: 8
• Pages of publication: 1547 - 1549
• a: 8.465 ± 0.002 Å
• b: 6.062 ± 0.001 Å
• c: 11.901 ± 0.002 Å
• α: 90°
• β: 95.78 ± 0.01°
• γ: 90°
• Cell volume: 607.6 ± 0.2 ų
• Cell temperature: 293 ± 1 K
• Ambient diffraction temperature: 293 ± 1 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for significantly intense reflections: 0.033
• Weighted residual factors for significantly intense reflections: 0.043
• Goodness-of-fit parameter for significantly intense reflections: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No