Information card for entry 1508673

Structure parameters

• Formula: C24 H17 N O3
• Calculated formula: C24 H17 N O3
• SMILES: n1(c2c3ccccc3C(=O)c2c2c(OC(=O)C)cccc12)c1ccc(cc1)C
• 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: 11.2385 ± 0.0011 Å
• b: 13.7508 ± 0.0014 Å
• c: 11.8921 ± 0.0012 Å
• α: 90°
• β: 95.111 ± 0.001°
• γ: 90°
• Cell volume: 1830.5 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.1216
• Residual factor for significantly intense reflections: 0.0551
• Weighted residual factors for significantly intense reflections: 0.124
• Weighted residual factors for all reflections included in the refinement: 0.1618
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No