Information card for entry 7706408

Structure parameters

• Formula: C57 H75 N2 P
• Calculated formula: C52 H63 N2 P
• Title of publication: Reactivity of phospha-Wittig reagents towards NHCs and NHOs.
• Authors of publication: Gupta, Priyanka; Siewert, Jan-Erik; Wellnitz, Tim; Fischer, Malte; Baumann, Wolgang; Beweries, Torsten; Hering-Junghans, Christian
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2021
• Journal volume: 50
• Journal issue: 5
• Pages of publication: 1838 - 1844
• a: 10.6116 ± 0.0003 Å
• b: 10.7511 ± 0.0003 Å
• c: 22.982 ± 0.0006 Å
• α: 83.9073 ± 0.0011°
• β: 80.6522 ± 0.0011°
• γ: 67.69 ± 0.001°
• Cell volume: 2390.61 ± 0.12 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0458
• Residual factor for significantly intense reflections: 0.0407
• Weighted residual factors for significantly intense reflections: 0.1116
• Weighted residual factors for all reflections included in the refinement: 0.1168
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No