Information card for entry 4038459

Structure parameters

• Formula: C25 H37 B N9 O4 P W
• Calculated formula: C25 H37 B N9 O4 P W
• Title of publication: A Highly Divergent Synthesis of 3-Aminotetrahydropyridines.
• Authors of publication: Wilde, Justin H.; Dickie, Diane A.; Harman, W. Dean
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2020
• a: 11.7009 ± 0.001 Å
• b: 13.1974 ± 0.0011 Å
• c: 19.6819 ± 0.0017 Å
• α: 90°
• β: 91.092 ± 0.002°
• γ: 90°
• Cell volume: 3038.8 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0292
• Residual factor for significantly intense reflections: 0.0231
• Weighted residual factors for significantly intense reflections: 0.0448
• Weighted residual factors for all reflections included in the refinement: 0.0467
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No