Information card for entry 7154161

Structure parameters

• Formula: C25 H17 Cl6 N7
• Calculated formula: C25 H17 Cl6 N7
• SMILES: ClC(Cl)Cl.ClC(Cl)Cl.n1c(cccc1c1nc(ncc1)c1ncccc1)c1nc(ncc1)c1ncccc1
• 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: 8.921 ± 0.004 Å
• b: 10.42 ± 0.02 Å
• c: 15.804 ± 0.008 Å
• α: 81.48 ± 0.09°
• β: 73.79 ± 0.04°
• γ: 87.26 ± 0.09°
• Cell volume: 1395 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2181
• Residual factor for significantly intense reflections: 0.0475
• Weighted residual factors for significantly intense reflections: 0.1125
• Weighted residual factors for all reflections included in the refinement: 0.1555
• Goodness-of-fit parameter for all reflections included in the refinement: 0.819
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MOKa
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No