Information card for entry 4080539

Structure parameters

• Formula: C35.5 H22 B Cl F15 N
• Calculated formula: C35.5 H22 B Cl F15 N
• Title of publication: Metal-Free Hydrogenation ofN-Based Heterocycles
• Authors of publication: Mahdi, Tayseer; del Castillo, Jon Nathaniel; Stephan, Douglas W.
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 6
• Pages of publication: 1971
• a: 10.9902 ± 0.0009 Å
• b: 15.1213 ± 0.0011 Å
• c: 19.4765 ± 0.0015 Å
• α: 90°
• β: 92.062 ± 0.003°
• γ: 90°
• Cell volume: 3234.6 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0808
• Residual factor for significantly intense reflections: 0.0495
• Weighted residual factors for significantly intense reflections: 0.118
• Weighted residual factors for all reflections included in the refinement: 0.1363
• Goodness-of-fit parameter for all reflections included in the refinement: 0.936
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No