Information card for entry 7063092

Structure parameters

• Formula: C29 H22 O5 P2 W
• Calculated formula: C29 H22 O5 P2 W
• Title of publication: Synthesis of P,P-bidentate caged phosphines via tungsten pentacarbonyl-promoted cycloaddition reactions of 1-alkyl-1,2-diphospholes
• Authors of publication: Zagidullin, Almaz A.; Ganushevich, Yulia S.; Korchagin, Denis V.; Lönnecke, Peter; Hey-Hawkins, Evamarie; Miluykov, Vasili A.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2024
• Journal volume: 48
• Journal issue: 15
• Pages of publication: 6848 - 6856
• a: 21.8484 ± 0.0003 Å
• b: 6.6265 ± 0.0001 Å
• c: 19.525 ± 0.0003 Å
• α: 90°
• β: 106.818 ± 0.001°
• γ: 90°
• Cell volume: 2705.89 ± 0.07 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 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: 0.027
• Residual factor for significantly intense reflections: 0.0221
• Weighted residual factors for significantly intense reflections: 0.0449
• Weighted residual factors for all reflections included in the refinement: 0.0467
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No