Information card for entry 7245545

Structure parameters

• Formula: C24 H21 Cl4 N O2
• Calculated formula: C24 H21 Cl4 N O2
• SMILES: Clc1cc2c(n(c3c2C=C(CC(=C3)c2ccccc2)C(=O)OCC)C)cc1.ClC(Cl)Cl
• Title of publication: Brønsted acid-catalyzed cascade cyclization: an efficient strategy for divergent synthesis of cyclohepta[b]indole derivatives
• Authors of publication: Chen, Shaomin; Chen, Zhiyan; Zhang, Tianjian; Zhao, Bo; You, Bo; Li, Minghao; Gu, Yanlong
• Journal of publication: Green Chemistry
• Year of publication: 2022
• Journal volume: 24
• Journal issue: 19
• Pages of publication: 7376 - 7381
• a: 15.828 ± 0.0009 Å
• b: 9.9575 ± 0.0004 Å
• c: 16.1714 ± 0.0009 Å
• α: 90°
• β: 116.785 ± 0.007°
• γ: 90°
• Cell volume: 2275.3 ± 0.2 ų
• Cell temperature: 169.99 ± 0.1 K
• Ambient diffraction temperature: 169.99 ± 0.1 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: 0.1107
• Residual factor for significantly intense reflections: 0.0866
• Weighted residual factors for significantly intense reflections: 0.2314
• Weighted residual factors for all reflections included in the refinement: 0.2709
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No