Information card for entry 7244744

Structure parameters

• Formula: C23 H40 P2
• Calculated formula: C23 H40 P2
• SMILES: C(/c1cc(cc(c1)C(C)(C)C)C(C)(C)C)=P/P(C(C)(C)C)C(C)(C)C
• Title of publication: Activation of the CP bond in phosphanylphosphaalkenes (CP–P bond system) in the reaction with nucleophilic reagents: MeLi, nBuLi and tBuLi
• Authors of publication: Ziółkowska, Aleksandra; Szynkiewicz, Natalia; Ponikiewski, Łukasz
• Journal of publication: RSC Advances
• Year of publication: 2022
• Journal volume: 12
• Journal issue: 18
• Pages of publication: 10989 - 10996
• a: 11.8649 ± 0.0003 Å
• b: 12.6361 ± 0.0004 Å
• c: 15.6655 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2348.67 ± 0.11 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0489
• Residual factor for significantly intense reflections: 0.0364
• Weighted residual factors for significantly intense reflections: 0.0784
• Weighted residual factors for all reflections included in the refinement: 0.0828
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No