Information card for entry 7116894

Structure parameters

• Formula: C16 H26 Al O4 Ti
• Calculated formula: C16 H26 Al O4 Ti
• Title of publication: Cp2TiCl2-catalyzed cis-hydroalumination of propargylic amines with Red-Al: stereoselective synthesis of Z-configured allylic amines
• Authors of publication: Renhong Sun; Jun Liu; Shuang Yang; Ming Chen; Ning Sun; Haoyi Chen; Xin Xie; Xu You; Shi Li; Yuanhong Liu
• Journal of publication: Chem.Commun.
• Year of publication: 2015
• Journal volume: 51
• Pages of publication: 6426
• a: 9.6563 ± 0.0014 Å
• b: 9.8287 ± 0.0014 Å
• c: 10.6494 ± 0.0016 Å
• α: 64.408 ± 0.002°
• β: 74.407 ± 0.002°
• γ: 73.803 ± 0.002°
• Cell volume: 862.5 ± 0.2 ų
• Cell temperature: 130 K
• Ambient diffraction temperature: 130 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0657
• Residual factor for significantly intense reflections: 0.0384
• Weighted residual factors for significantly intense reflections: 0.0817
• Weighted residual factors for all reflections included in the refinement: 0.092
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No