Information card for entry 7154591

Structure parameters

• Formula: C18 H15 N O
• Calculated formula: C18 H15 N O
• SMILES: c1(=O)c(c(c2cccc3CCn1c23)C)c1ccccc1
• Title of publication: Ruthenium-catalyzed cyclization of N-carbamoyl indolines with alkynes: an efficient route to pyrroloquinolinones.
• Authors of publication: Manoharan, Ramasamy; Jeganmohan, Masilamani
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2015
• Journal volume: 13
• Journal issue: 35
• Pages of publication: 9276 - 9284
• a: 7.6266 ± 0.0008 Å
• b: 18.5193 ± 0.0018 Å
• c: 10.0793 ± 0.001 Å
• α: 90°
• β: 108.801 ± 0.005°
• γ: 90°
• Cell volume: 1347.6 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.054
• Residual factor for significantly intense reflections: 0.0405
• Weighted residual factors for significantly intense reflections: 0.1216
• Weighted residual factors for all reflections included in the refinement: 0.1389
• Goodness-of-fit parameter for all reflections included in the refinement: 0.882
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No