Information card for entry 7218236

Structure parameters

• Formula: C28 H20 Cl2 N2
• Calculated formula: C28 H20 Cl2 N2
• SMILES: c1(ccc2c(c1)C(Cc1c(cccc1)N2)c1c2ccccc2n(c1)c1ccc(cc1)Cl)Cl
• 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: 7.242 ± 0.006 Å
• b: 21.438 ± 0.012 Å
• c: 14.019 ± 0.009 Å
• α: 90°
• β: 96.92 ± 0.03°
• γ: 90°
• Cell volume: 2161 ± 3 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 4
• 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: 0.3364
• Residual factor for significantly intense reflections: 0.1027
• Weighted residual factors for significantly intense reflections: 0.193
• Weighted residual factors for all reflections included in the refinement: 0.2902
• Goodness-of-fit parameter for all reflections included in the refinement: 0.95
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No