Information card for entry 7127867

Structure parameters

• Formula: C19 H21 N O2
• Calculated formula: C19 H21 N O2
• Title of publication: Asymmetric Petasis reaction for the synthesis of chiral α- and β-butadienyl amines.
• Authors of publication: Xie, Yi-Wen; Zhao, Zhen-Ni; Lin, Zi-Wei; Wang, Yu-Hao; Liu, Ya-Qun; Huang, Yi-Yong
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2021
• Journal volume: 57
• Journal issue: 19
• Pages of publication: 2364 - 2367
• a: 27.51 ± 0.002 Å
• b: 5.7053 ± 0.0005 Å
• c: 10.3731 ± 0.0009 Å
• α: 90°
• β: 95.37 ± 0.002°
• γ: 90°
• Cell volume: 1620.9 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 273.15 K
• Number of distinct elements: 4
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0402
• Residual factor for significantly intense reflections: 0.0373
• Weighted residual factors for significantly intense reflections: 0.1025
• Weighted residual factors for all reflections included in the refinement: 0.105
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No