Information card for entry 7244745

Structure parameters

• Formula: C84 H118 Li2 O6 P6
• Calculated formula: C84 H118 Li2 O6 P6
• SMILES: C(C)(C)(C)P(C(C)(C)C)P1[C@H](c2ccc(cc2)c2ccccc2)[C@@H](c2ccc(cc2)c2ccccc2)[P](C)(C)[Li]21P([C@@H](c1ccc(cc1)c1ccccc1)[C@H](c1ccc(cc1)c1ccccc1)[P]2(C)C)P(C(C)(C)C)C(C)(C)C.C[O]1CC[O](C)[Li]231([O](C)CC[O]2C)[O](C)CC[O]3C
• 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: 12.1986 ± 0.0005 Å
• b: 19.21 ± 0.0008 Å
• c: 20.5903 ± 0.0009 Å
• α: 115.094 ± 0.003°
• β: 100.381 ± 0.003°
• γ: 98.093 ± 0.003°
• Cell volume: 4168.4 ± 0.3 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1587
• Residual factor for significantly intense reflections: 0.0836
• Weighted residual factors for significantly intense reflections: 0.2091
• Weighted residual factors for all reflections included in the refinement: 0.2549
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No