Information card for entry 7125949

Structure parameters

• Chemical name: <i>N</i>-(4-Methylphenyl)formamide
• Formula: C8 H9 N O
• Calculated formula: C8 H9 N O
• Title of publication: Synthesis of tetrasubstituted thiophenes via a [3+2] cascade cyclization reaction of pyridinium 1,4-zwitterionic thiolates and activated allenes.
• Authors of publication: Zhai, Shengxian; Zhang, Xinping; Cheng, Bin; Li, Hui; Li, Yuntong; He, Yixuan; Li, Yun; Wang, Taimin; Zhai, Hongbin
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 20
• Pages of publication: 3085 - 3088
• a: 6.5511 ± 0.0011 Å
• b: 6.9192 ± 0.0012 Å
• c: 8.0265 ± 0.0017 Å
• α: 93.73 ± 0.001°
• β: 102.78 ± 0.001°
• γ: 91.769 ± 0.001°
• Cell volume: 353.68 ± 0.11 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0713
• Residual factor for significantly intense reflections: 0.0464
• Weighted residual factors for significantly intense reflections: 0.1189
• Weighted residual factors for all reflections included in the refinement: 0.1273
• Goodness-of-fit parameter for all reflections included in the refinement: 0.902
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No