Information card for entry 7131476

Structure parameters

• Formula: C11 H10 N O
• Calculated formula: C9.33333 H8.66667 N2 O2.66667
• Title of publication: Palladium-catalysed Suzuki-Miyaura coupling of α,β-unsaturated superactive triazine esters.
• Authors of publication: Lin, Dezhi; Yang, Hongyu; Zhang, Xiao; Sun, Huaming; Zhang, Xuepeng; Jian, Yajun; Zhang, Weiqiang; Liu, Yunfang; Gao, Ziwei
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2023
• Journal volume: 59
• Journal issue: 32
• Pages of publication: 4810 - 4813
• a: 8.3286 ± 0.0003 Å
• b: 11.3682 ± 0.0005 Å
• c: 15.5301 ± 0.0005 Å
• α: 93.171 ± 0.003°
• β: 96.973 ± 0.003°
• γ: 104.307 ± 0.004°
• Cell volume: 1408.69 ± 0.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0542
• Residual factor for significantly intense reflections: 0.0469
• Weighted residual factors for significantly intense reflections: 0.121
• Weighted residual factors for all reflections included in the refinement: 0.1287
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No