Information card for entry 1508672

Structure parameters

• Formula: C30 H27 Cl N2 O3
• Calculated formula: C30 H27 Cl N2 O3
• SMILES: Clc1ccc(N[C@]23N(C4=C([C@@]2(O)C(=O)c2c3cccc2)C(=O)CC(C4)(C)C)c2ccc(cc2)C)cc1.Clc1ccc(N[C@@]23N(C4=C([C@]2(O)C(=O)c2c3cccc2)C(=O)CC(C4)(C)C)c2ccc(cc2)C)cc1
• Title of publication: Three-component domino reactions for selective formation of indeno[1,2-b]indole derivatives.
• Authors of publication: Jiang, Bo; Li, Qiu-Yun; Tu, Shu-Jiang; Li, Guigen
• Journal of publication: Organic letters
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 20
• Pages of publication: 5210 - 5213
• a: 9.2972 ± 0.0008 Å
• b: 28.872 ± 0.003 Å
• c: 10.5273 ± 0.0009 Å
• α: 90°
• β: 108.994 ± 0.001°
• γ: 90°
• Cell volume: 2672 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.1417
• Residual factor for significantly intense reflections: 0.0524
• Weighted residual factors for significantly intense reflections: 0.0643
• Weighted residual factors for all reflections included in the refinement: 0.0737
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No