Information card for entry 7046651

Structure parameters

• Formula: C23 H18 B F4 N O S
• Calculated formula: C23 H18 B F4 N O S
• 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: 8.1048 ± 0.0016 Å
• b: 11.553 ± 0.002 Å
• c: 12.473 ± 0.003 Å
• α: 64.34 ± 0.03°
• β: 81.29 ± 0.03°
• γ: 77.44 ± 0.03°
• Cell volume: 1025.4 ± 0.5 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1261
• Residual factor for significantly intense reflections: 0.0564
• Weighted residual factors for significantly intense reflections: 0.1172
• Weighted residual factors for all reflections included in the refinement: 0.1401
• Goodness-of-fit parameter for all reflections included in the refinement: 0.932
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No