Information card for entry 1518820

Structure parameters

• Formula: C23 H17 N O
• Calculated formula: C23 H17 N O
• SMILES: c1(=O)c(c(c2cccc3c2n1CC3)c1ccccc1)c1ccccc1
• Title of publication: Expedient Synthesis of Pyrroloquinolinones by Rh-Catalyzed Annulation of N-Carbamoyl Indolines with Alkynes through a Directed C-H Functionalization/C-N Cleavage Sequence.
• Authors of publication: Yang, Xiao-Fei; Hu, Xu-Hong; Loh, Teck-Peng
• Journal of publication: Organic letters
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 6
• Pages of publication: 1481 - 1484
• a: 9.9575 ± 0.0004 Å
• b: 10.7208 ± 0.0005 Å
• c: 16.4862 ± 0.0008 Å
• α: 91.531 ± 0.002°
• β: 105.749 ± 0.003°
• γ: 104.208 ± 0.003°
• Cell volume: 1633.82 ± 0.13 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 4
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0722
• Residual factor for significantly intense reflections: 0.0518
• Weighted residual factors for significantly intense reflections: 0.1226
• Weighted residual factors for all reflections included in the refinement: 0.1427
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No