Information card for entry 2240062

Structure parameters

• Chemical name: 6,6'-Dimethyl-2<i>H</i>,2'<i>H</i>-3,4'-bichromene-2,2'-dione
• Formula: C20 H14 O4
• Calculated formula: C20 H14 O4
• SMILES: o1c(=O)cc(c2cc(ccc12)C)c1cc2cc(ccc2oc1=O)C
• Title of publication: Crystal structure of 6,6'-dimethyl-2<i>H</i>,2'<i>H</i>-3,4'-bichromene-2,2'-dione
• Authors of publication: Pujar, Kiran K.; Kulkarni, Manohar V.; Anil Kumar, G. N.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 11
• Pages of publication: 319 - 321
• a: 7.834 ± 0.001 Å
• b: 8.0455 ± 0.0009 Å
• c: 12.7952 ± 0.0015 Å
• α: 79.492 ± 0.005°
• β: 77.096 ± 0.004°
• γ: 86.637 ± 0.005°
• Cell volume: 772.78 ± 0.16 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0656
• Residual factor for significantly intense reflections: 0.0455
• Weighted residual factors for significantly intense reflections: 0.1238
• Weighted residual factors for all reflections included in the refinement: 0.1397
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes