Information card for entry 4037218

Structure parameters

• Formula: C14 H19 N O4
• Calculated formula: C14 H19 N O4
• SMILES: O(c1c2c(c(cc1OC)C(=O)NC)C(C)(C)CO2)C
• Title of publication: Ruthenium-Catalyzed Intramolecular Hydroarylation of Arenes and Mechanistic Study: Synthesis of Dihydrobenzofurans, Indolines, and Chromans.
• Authors of publication: Rit, Raja K.; Ghosh, Koushik; Mandal, Rajib; Sahoo, Akhila K.
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2016
• Journal volume: 81
• Journal issue: 18
• Pages of publication: 8552 - 8560
• a: 11.106 ± 0.0005 Å
• b: 10.7491 ± 0.0005 Å
• c: 23.3289 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2785 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0401
• Residual factor for significantly intense reflections: 0.0377
• Weighted residual factors for significantly intense reflections: 0.1016
• Weighted residual factors for all reflections included in the refinement: 0.1038
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No