Information card for entry 7150964

Structure parameters

• Formula: C46 H50 N2
• Calculated formula: C46 H50 N2
• SMILES: c12c(c3cc(cc(c3n1)C(C)(C)C)C(C)(C)C)c(c1ccccc1)c1c(c3cc(cc(c3n1)C(C)(C)C)C(C)(C)C)c2c1ccccc1
• Title of publication: Facile synthesis of novel indolo[3,2-b]carbazole derivatives and a chromogenic-sensing 5,12-dihydroindolo[3,2-b]carbazole
• Authors of publication: Gu, Rong; Robeyns, Koen; Van Meervelt, Luc; Toppet, Suzanne; Dehaen, Wim
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2008
• Journal volume: 6
• Journal issue: 14
• Pages of publication: 2484 - 2487
• a: 5.7658 ± 0.0009 Å
• b: 12.225 ± 0.0015 Å
• c: 13.2296 ± 0.0015 Å
• α: 79.379 ± 0.007°
• β: 81.877 ± 0.009°
• γ: 88.968 ± 0.009°
• Cell volume: 907.3 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0824
• Residual factor for significantly intense reflections: 0.0577
• Weighted residual factors for significantly intense reflections: 0.1384
• Weighted residual factors for all reflections included in the refinement: 0.1523
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No