Information card for entry 2205568

Structure parameters

• Chemical name: Dibenzimidazo[2,1-a:2',1'-a']anthra[2,1,9-def:6,5,10-d'e'f']diisoquinoline- 10,21-dione
• Formula: C36 H16 N4 O2
• Calculated formula: C36 H16 N4 O2
• Title of publication: Dibenzimidazo[2,1-<i>a</i>:1',2'-<i>b</i>']anthra[2,1,9-<i>def</i>:6,5,10-<i>d</i>'<i>e</i>'<i>f</i>']diisoquinoline-6,11-dione: <i>cis</i> form (II)
• Authors of publication: Mizuguchi, Jin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 4
• Pages of publication: o1066 - o1067
• a: 4.7501 ± 0.0006 Å
• b: 28.079 ± 0.003 Å
• c: 8.728 ± 0.001 Å
• α: 90°
• β: 99.21 ± 0.01°
• γ: 90°
• Cell volume: 1149.1 ± 0.2 ų
• Cell temperature: 93.2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.0825
• Weighted residual factors for all reflections included in the refinement: 0.1955
• Goodness-of-fit parameter for all reflections included in the refinement: 1.144
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes