Information card for entry 7154357

Structure parameters

• Chemical name: 5-(4-(<i>tert</i>-Butyl)phenyl)-10-methyl-5,10-dihydroindolo[3,2-b]indole
• Formula: C25 H24 N2
• Calculated formula: C25 H24 N2
• Title of publication: Novel synthesis of 5-methyl-5,10-dihydroindolo[3,2-b]indoles by Pd-catalyzed C-C and two-fold C-N coupling reactions.
• Authors of publication: Hung, Tran Quang; Hancker, Sören; Villinger, Alexander; Lochbrunner, Stefan; Dang, Tuan Thanh; Friedrich, Aleksej; Breitsprecher, Wolfgang; Langer, Peter
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2015
• Journal volume: 13
• Journal issue: 2
• Pages of publication: 583 - 591
• a: 9.8957 ± 0.0003 Å
• b: 23.4982 ± 0.0007 Å
• c: 8.5844 ± 0.0003 Å
• α: 90°
• β: 103.811 ± 0.002°
• γ: 90°
• Cell volume: 1938.43 ± 0.11 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 3
• 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: 0.0971
• Residual factor for significantly intense reflections: 0.0507
• Weighted residual factors for significantly intense reflections: 0.1115
• Weighted residual factors for all reflections included in the refinement: 0.1326
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No