Information card for entry 2216816

Structure parameters

• Chemical name: 1,4-Dimethoxy-13b,l3c-diphenyl-6H,13H-5,7,12,13b,13c,14-Hexahydro- 5a,6a,l2a,13a-tetraazabenz[5,6]azuleno[2,1,8-ija]benz[f]azulene-6,13-dione chloroform solvate
• Formula: C35 H31 Cl3 N4 O4
• Calculated formula: C35 H31 Cl3 N4 O4
• SMILES: c12ccccc1CN1C(=O)N3C4(C1(c1ccccc1)N(C2)C(=O)N4Cc1c(C3)c(ccc1OC)OC)c1ccccc1.C(Cl)(Cl)Cl
• Title of publication: 1,4-Dimethoxy-13b,13c-diphenyl-6<i>H</i>,13<i>H</i>-5,7,12,13b,13c,14-hexahydro-5a,6a,12a,13a-tetraazabenz[5,6]azuleno[2,1,8-<i>ija</i>]benz[<i>f</i>]azulene-6,13-dione chloroform solvate
• Authors of publication: Wang, Yu-Zhou; Wang, Zhi-Guo; Li, Lin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 12
• Pages of publication: o4711 - o4711
• a: 11.0635 ± 0.0017 Å
• b: 12.5197 ± 0.0019 Å
• c: 14.174 ± 0.002 Å
• α: 64.652 ± 0.003°
• β: 87.539 ± 0.003°
• γ: 68.087 ± 0.003°
• Cell volume: 1630 ± 0.4 ų
• Cell temperature: 292 ± 2 K
• Ambient diffraction temperature: 292 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.124
• Residual factor for significantly intense reflections: 0.063
• Weighted residual factors for significantly intense reflections: 0.125
• Weighted residual factors for all reflections included in the refinement: 0.154
• Goodness-of-fit parameter for all reflections included in the refinement: 0.96
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes