Information card for entry 7226019

Structure parameters

• Chemical name: 6,15-Dihexyl-7,16-diphenyl-6,15-dihydroindeno[1,2-b]indeno[2',1':5,6]indolo[2,3-h]carbazole-9,18-dione
• Formula: C56 H48 N2 O2
• Calculated formula: C56 H48 N2 O2
• Title of publication: A new synthetic approach to fused nine-ring systems of the indolo[3,2-b]carbazole family through double Pd-catalyzed intramolecular C‒H arylation
• Authors of publication: Irgashev, Roman A.; Kazin, Nikita A.; Kim, Grigory A.; Rusinov, Gennady L.; Charushin, Valery N.
• Journal of publication: RSC Adv.
• Year of publication: 2016
• Journal volume: 6
• Journal issue: 74
• Pages of publication: 70106
• a: 10.9788 ± 0.0008 Å
• b: 25.286 ± 0.003 Å
• c: 16.0994 ± 0.0007 Å
• α: 90°
• β: 100.188 ± 0.006°
• γ: 90°
• Cell volume: 4398.9 ± 0.6 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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 all reflections: 0.1733
• Residual factor for significantly intense reflections: 0.068
• Weighted residual factors for significantly intense reflections: 0.1632
• Weighted residual factors for all reflections included in the refinement: 0.2204
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No