Information card for entry 7160230

Structure parameters

• Formula: C49 H48 B2 Cl2 F10 N3 O2 P
• Calculated formula: C49 H48 B2 Cl2 F10 N3 O2 P
• Title of publication: Transformation of CO₂ and isocyanates mediated by <i>N</i>-borane-substituted cyclic phosphine imides (BCPIs) <i>via</i> λ⁵-oxazaphosphetanes.
• Authors of publication: Nagai, Shun; Ogoshi, Sensuke; Hoshimoto, Yoichi
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2024
• Journal volume: 23
• Journal issue: 1
• Pages of publication: 202 - 206
• a: 10.5399 ± 0.0005 Å
• b: 11.4428 ± 0.0006 Å
• c: 21.6413 ± 0.0009 Å
• α: 85.586 ± 0.004°
• β: 85.395 ± 0.004°
• γ: 69.91 ± 0.004°
• Cell volume: 2439.9 ± 0.2 ų
• Cell temperature: 123.15 K
• Ambient diffraction temperature: 123.15 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1174
• Residual factor for significantly intense reflections: 0.0721
• Weighted residual factors for significantly intense reflections: 0.1647
• Weighted residual factors for all reflections included in the refinement: 0.1892
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No