Information card for entry 7158142

Structure parameters

• Formula: C34 H27 Cl2 N O4
• Calculated formula: C34 H27 Cl2 N O4
• SMILES: c12ccccc1c1c(c(C(=O)OCC)c(c(c1c1cc(ccc1)Cl)C1=CC(CC(=O)O1)(C)C)c1cccc(c1)Cl)[nH]2
• Title of publication: Diastereoselective synthesis of spiro[carbazole-3,5'-pyrimidines] and spiro[carbazole-3,1'-cyclohexanes] <i>via</i> four-component reaction.
• Authors of publication: Zhan, Shao-Cong; Fang, Ren-Jie; Sun, Jing; Yan, Chao-Guo
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2021
• Journal volume: 19
• Journal issue: 28
• Pages of publication: 6322 - 6327
• a: 10.7954 ± 0.0011 Å
• b: 11.0062 ± 0.001 Å
• c: 13.5566 ± 0.0012 Å
• α: 68.256 ± 0.003°
• β: 87.382 ± 0.003°
• γ: 86.599 ± 0.003°
• Cell volume: 1493 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1288
• Residual factor for significantly intense reflections: 0.0788
• Weighted residual factors for significantly intense reflections: 0.2039
• Weighted residual factors for all reflections included in the refinement: 0.2348
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No