Information card for entry 7046649

Structure parameters

• Formula: C27 H16.5 F N2.5 O4 W
• Calculated formula: C27 H16.5 F N2.5 O4 W
• Title of publication: Substituent effects in pyridyl-functionalized pyrylium salts, pyridines and λ³,σ²-phosphinines: a fundamental and systematic study.
• Authors of publication: Loibl, Antonia; Oschmann, Wiebke; Vogler, Maria; Pidko, Evgeny A.; Weber, Manuela; Wiecko, Jelena; Müller, Christian
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 28
• Pages of publication: 9355 - 9366
• a: 11.888 ± 0.001 Å
• b: 11.888 ± 0.001 Å
• c: 32.757 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4629.4 ± 0.9 ų
• Cell temperature: 143 ± 2 K
• Ambient diffraction temperature: 143 ± 2 K
• Number of distinct elements: 6
• Space group number: 92
• Hermann-Mauguin space group symbol: P 41 21 2
• Hall space group symbol: P 4abw 2nw
• Residual factor for all reflections: 0.0773
• Residual factor for significantly intense reflections: 0.0422
• Weighted residual factors for significantly intense reflections: 0.0765
• Weighted residual factors for all reflections included in the refinement: 0.0863
• Goodness-of-fit parameter for all reflections included in the refinement: 1.138
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No