Information card for entry 2014505

Structure parameters

• Chemical name: 8,19-Dimethyl-8,19-dihydro-8,19-ethanoanthra[2',3':2,3;6',7':2,3]di-1,4- dioxino[5,6-b;5,6-b]diquinoxaline
• Formula: C34 H22 N4 O4
• Calculated formula: C34 H22 N4 O4
• SMILES: CC12CCC(c3c1cc1Oc4nc5ccccc5nc4Oc1c3)(c1c2cc2Oc3nc4ccccc4nc3Oc2c1)C
• Title of publication: 8,19-Dimethyl-8,19-dihydro-8,19-ethanoanthra[2'',3'':2,3;6'',7'':2',3']di-1,4-dioxino[5,6-<i>b</i>;5',6'-<i>b</i>']diquinoxaline
• Authors of publication: Masci, Bernardo; Thuéry, Pierre
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 11
• Pages of publication: o836 - o838
• a: 26.055 ± 0.002 Å
• b: 6.6734 ± 0.0012 Å
• c: 14.523 ± 0.002 Å
• α: 90°
• β: 94.788 ± 0.008°
• γ: 90°
• Cell volume: 2516.4 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1473
• Residual factor for significantly intense reflections: 0.0641
• Weighted residual factors for significantly intense reflections: 0.1291
• Weighted residual factors for all reflections included in the refinement: 0.1674
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes