Information card for entry 7046647

Structure parameters

• Formula: C23 H15 F3 N2
• Calculated formula: C23 H15 F3 N2
• 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: 10.686 ± 0.0003 Å
• b: 21.8463 ± 0.0005 Å
• c: 7.4437 ± 0.0001 Å
• α: 90°
• β: 92.658 ± 0.001°
• γ: 90°
• Cell volume: 1735.86 ± 0.07 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• 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: 0.0572
• Residual factor for significantly intense reflections: 0.0431
• Weighted residual factors for significantly intense reflections: 0.1008
• Weighted residual factors for all reflections included in the refinement: 0.1076
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No