Information card for entry 1542573

Structure parameters

• Formula: C26 H19 N3 O2
• Calculated formula: C26 H19 N3 O2
• SMILES: c1ccc(cc1)c1n2c(c3[nH]c4ccccc4c3CC2)c(c2ccccc2)c1N(=O)=O
• Title of publication: Acid-Catalyzed Multicomponent Tandem Cyclizations: Access to Polyfunctional Dihydroindolizino[8,7-b]indoles.
• Authors of publication: Cai, Qun; Li, Deng-Kui; Zhou, Rong-Rong; Shu, Wen-Ming; Wu, Yan-Dong; Wu, An-Xin
• Journal of publication: Organic letters
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 6
• Pages of publication: 1342 - 1345
• a: 10.0072 ± 0.001 Å
• b: 23.043 ± 0.002 Å
• c: 9.4047 ± 0.0009 Å
• α: 90°
• β: 110.772 ± 0.002°
• γ: 90°
• Cell volume: 2027.7 ± 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: 0.1
• Residual factor for significantly intense reflections: 0.0489
• Weighted residual factors for significantly intense reflections: 0.1134
• Weighted residual factors for all reflections included in the refinement: 0.1436
• Goodness-of-fit parameter for all reflections included in the refinement: 0.923
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No