Information card for entry 4034107

Structure parameters

• Formula: C10 H9 N O2
• Calculated formula: C10 H9 N O2
• SMILES: o1c2ccccc2cc1NC(=O)C
• Title of publication: N-Phenoxyamides as Multitasking Reagents: Base-Controlled Selective Construction of Benzofurans or Dihydrobenzofuro[2,3- d]oxazoles.
• Authors of publication: Li, Ming; Wang, Jia-Hui; Li, Wei; Lin, Cheng-Dong; Zhang, Lin-Bao; Wen, Li-Rong
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2019
• Journal volume: 84
• Journal issue: 13
• Pages of publication: 8523 - 8530
• a: 8.431 ± 0.002 Å
• b: 9.685 ± 0.002 Å
• c: 20.623 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1684 ± 0.7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173.15 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: 0.0499
• Residual factor for significantly intense reflections: 0.0487
• Weighted residual factors for significantly intense reflections: 0.1208
• Weighted residual factors for all reflections included in the refinement: 0.1218
• Goodness-of-fit parameter for all reflections included in the refinement: 1.129
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No