Information card for entry 7218722

Structure parameters

• Formula: C28 H23 Cl N2 O4
• Calculated formula: C28 H23 Cl N2 O4
• SMILES: c1c(C)ccc2c1C(C(=O)N2)c1c(C(=O)OC)cn(c1c1ccc(cc1)Cl)c1ccc(cc1)OC
• Title of publication: One-pot synthesis of 6,11-dihydro-5H-indolizino[8,7-b]indoles via sequential formation of β-enamino ester, Michael addition and Pictet-Spengler reactions
• Authors of publication: Yan, Chao Guo; Zhu, Dan; Sun, Jing
• Journal of publication: RSC Adv.
• Year of publication: 2014
• a: 12.0614 ± 0.0017 Å
• b: 9.0234 ± 0.0013 Å
• c: 22.676 ± 0.003 Å
• α: 90°
• β: 91.047 ± 0.002°
• γ: 90°
• Cell volume: 2467.5 ± 0.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• 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: 0.0739
• Residual factor for significantly intense reflections: 0.0453
• Weighted residual factors for significantly intense reflections: 0.117
• Weighted residual factors for all reflections included in the refinement: 0.1362
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No