Information card for entry 7160231

Structure parameters

• Formula: C44 H54 B Cl4 N4 O P
• Calculated formula: C44 H54 B Cl4 N4 O 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: 9.9059 ± 0.0001 Å
• b: 19.1588 ± 0.0002 Å
• c: 23.634 ± 0.0002 Å
• α: 90°
• β: 93.518 ± 0.001°
• γ: 90°
• Cell volume: 4476.93 ± 0.08 ų
• Cell temperature: 193.15 K
• Ambient diffraction temperature: 193.15 K
• Number of distinct elements: 7
• 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: 0.0591
• Residual factor for significantly intense reflections: 0.0548
• Weighted residual factors for significantly intense reflections: 0.1503
• Weighted residual factors for all reflections included in the refinement: 0.1545
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No