Information card for entry 7706411

Structure parameters

• Formula: C48 H69 N2 P
• Calculated formula: C48 H69 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: 10.4692 ± 0.0004 Å
• b: 18.3677 ± 0.0007 Å
• c: 23.4081 ± 0.0009 Å
• α: 90°
• β: 100.562 ± 0.002°
• γ: 90°
• Cell volume: 4425 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0534
• Residual factor for significantly intense reflections: 0.0496
• Weighted residual factors for significantly intense reflections: 0.1326
• Weighted residual factors for all reflections included in the refinement: 0.1369
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No