Information card for entry 4033258

Structure parameters

• Formula: C27 H21 N3 O
• Calculated formula: C27 H21 N3 O
• SMILES: c1ccccc1C(=O)c1nc(c2c3c(CCn12)c1c(cccc1)n3C)c1ccccc1
• Title of publication: A C-H Oxidation/Two-Fold Cyclization Approach to Imidazopyridoindole Scaffold under Mild Oxidizing Conditions.
• Authors of publication: Xiang, Jia-Chen; Wang, Zi-Xuan; Cheng, Yan; Ma, Jin-Tian; Wang, Miao; Tang, Bo-Cheng; Wu, Yan-Dong; Wu, An-Xin
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2017
• Journal volume: 82
• Journal issue: 24
• Pages of publication: 13671 - 13677
• a: 11.307 ± 0.003 Å
• b: 18.799 ± 0.005 Å
• c: 10.72 ± 0.003 Å
• α: 90°
• β: 115.779 ± 0.007°
• γ: 90°
• Cell volume: 2051.9 ± 1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0972
• Residual factor for significantly intense reflections: 0.054
• Weighted residual factors for significantly intense reflections: 0.1284
• Weighted residual factors for all reflections included in the refinement: 0.1546
• Goodness-of-fit parameter for all reflections included in the refinement: 0.968
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No