Information card for entry 4029873

Structure parameters

• Formula: C29 H22 N2 O5
• Calculated formula: C29 H22 N2 O5
• SMILES: n1(c(c(c(c2c1nc1c2cccc1)C(=O)c1ccccc1)C(=O)OC)C(=O)OC)c1ccc(cc1)C
• Title of publication: Selective Synthesis of Polyfunctionalized Pyrido[2,3-b]indoles by Multicomponent Domino Reactions.
• Authors of publication: Hu, Jun-Die; Cao, Cheng-Pao; Lin, Wei; Hu, Ming-Hua; Huang, Zhi-Bin; Shi, Da-Qing
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2014
• Journal volume: 79
• Journal issue: 17
• Pages of publication: 7935 - 7944
• a: 10.3693 ± 0.0011 Å
• b: 10.5849 ± 0.0012 Å
• c: 13.5584 ± 0.0015 Å
• α: 87.922 ± 0.002°
• β: 89.05 ± 0.002°
• γ: 62.078 ± 0.001°
• Cell volume: 1314 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.3902
• Residual factor for significantly intense reflections: 0.1194
• Weighted residual factors for significantly intense reflections: 0.1797
• Weighted residual factors for all reflections included in the refinement: 0.225
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No