Information card for entry 7706402

Structure parameters

• Formula: C29 H49 N2 O P
• Calculated formula: C25 H41 N2 P
• SMILES: P(c1c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C)=C1N(C(=C(N1C)C)C)C
• 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: 15.0307 ± 0.0009 Å
• b: 9.7034 ± 0.0006 Å
• c: 20.4134 ± 0.0012 Å
• α: 90°
• β: 104.02 ± 0.0024°
• γ: 90°
• Cell volume: 2888.6 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• 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: 0.0608
• Residual factor for significantly intense reflections: 0.0405
• Weighted residual factors for significantly intense reflections: 0.1018
• Weighted residual factors for all reflections included in the refinement: 0.1136
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No