Information card for entry 7160434

Structure parameters

• Formula: C29 H37 N O3
• Calculated formula: C29 H37 N O3
• Title of publication: Ni-catalyzed highly regioselective carboborylation bifunctionalization of allenes: access to α-substituted-γ-boro-δ-enoates.
• Authors of publication: Wu, Jing; Guo, Xinman; Zou, Jinghan; Wang, Ziyu; Chang, Weixing; Liu, Lingyan; Li, Jing
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2025
• Journal volume: 23
• Journal issue: 16
• Pages of publication: 3894 - 3898
• a: 9.7654 ± 0.0004 Å
• b: 10.6359 ± 0.0005 Å
• c: 24.7507 ± 0.0009 Å
• α: 90°
• β: 93.508 ± 0.004°
• γ: 90°
• Cell volume: 2565.89 ± 0.19 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1191
• Residual factor for significantly intense reflections: 0.1073
• Weighted residual factors for significantly intense reflections: 0.2661
• Weighted residual factors for all reflections included in the refinement: 0.2757
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No