Information card for entry 2222991

Structure parameters

• Chemical name: (3<i>Z</i>,3'<i>Z</i>)-3,3'-(Ethane-1,2-diylidene)bis[isobenzofuran- 1(3<i>H</i>)-one]
• Formula: C18 H10 O4
• Calculated formula: C18 H10 O4
• SMILES: O=C1OC(=C\C=C2/OC(=O)c3c2cccc3)/c2c1cccc2
• Title of publication: (3<i>Z</i>,3'<i>Z</i>)-3,3'-(Ethane-1,2-diylidene)bis[isobenzofuran-1(3<i>H</i>)-one]
• Authors of publication: Ono, Katsuhiko; Tokura, Osamu; Tomura, Masaaki
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 9
• Pages of publication: o2118
• a: 6.903 ± 0.0013 Å
• b: 7.0374 ± 0.0016 Å
• c: 7.7792 ± 0.0013 Å
• α: 112.19 ± 0.005°
• β: 95.696 ± 0.002°
• γ: 107.239 ± 0.008°
• Cell volume: 324.53 ± 0.11 ų
• Cell temperature: 173 ± 1 K
• Ambient diffraction temperature: 173 ± 1 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: 0.0725
• Residual factor for significantly intense reflections: 0.066
• Weighted residual factors for significantly intense reflections: 0.1685
• Weighted residual factors for all reflections included in the refinement: 0.1761
• Goodness-of-fit parameter for all reflections included in the refinement: 0.968
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes