Information card for entry 1523614

Structure parameters

• Formula: C16 H13 N O4
• Calculated formula: C16 H13 N O4
• SMILES: COC(=O)c1c2c(c3c(cccc3)[nH]2)cc(c1)C(=O)OC
• Title of publication: Palladium-Catalyzed Triple Successive C-H Functionalization: Direct Synthesis of Functionalized Carbazoles from Indoles.
• Authors of publication: Verma, Akhilesh K.; Danodia, Abhinandan K.; Saunthwal, Rakesh K.; Patel, Monika; Choudhary, Deepak
• Journal of publication: Organic letters
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 15
• Pages of publication: 3658 - 3661
• a: 24.4884 ± 0.0013 Å
• b: 7.9625 ± 0.0004 Å
• c: 18.5286 ± 0.0011 Å
• α: 90°
• β: 131.954 ± 0.003°
• γ: 90°
• Cell volume: 2686.8 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.046
• Residual factor for significantly intense reflections: 0.0425
• Weighted residual factors for significantly intense reflections: 0.1039
• Weighted residual factors for all reflections included in the refinement: 0.1062
• Goodness-of-fit parameter for all reflections included in the refinement: 1.108
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No