Information card for entry 7218235

Structure parameters

• Formula: C34 H32 N4 O4
• Calculated formula: C34 H32 N4 O4
• SMILES: COc1ccc2c(c1)c(cn2c1ccccc1C(=O)NC)C1Cc2cc(ccc2Nc2c1cccc2C(=O)NC)OC
• Title of publication: BF3•OEt2-mediated one pot synthesis of 10-indolyldibenzo[b,f]azepine derivatives via tandem ring expansion and C-C bond formation
• Authors of publication: Yao, Ching-Fa; Kotipalli, Trimurtulu; Donala, Janreddy; Kavala, Veerababurao; Kuo, Chun-Wei; Chen, Mei-Ling; Kuo, Ting-Shen; He, Chiu-Hui
• Journal of publication: RSC Adv.
• Year of publication: 2014
• a: 10.786 ± 0.003 Å
• b: 11.071 ± 0.003 Å
• c: 12.689 ± 0.003 Å
• α: 67.852 ± 0.004°
• β: 80.937 ± 0.004°
• γ: 81.886 ± 0.005°
• Cell volume: 1380.3 ± 0.6 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.114
• Residual factor for significantly intense reflections: 0.0592
• Weighted residual factors for significantly intense reflections: 0.1432
• Weighted residual factors for all reflections included in the refinement: 0.195
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No