Information card for entry 7122445

Structure parameters

• Formula: C23 H16 B Cl F4 O
• Calculated formula: C23 H16 B Cl F4 O
• Title of publication: Synthesis of symmetrical and unsymmetrical triarylpyrylium ions via an inverse electron demand Diels-Alder reaction.
• Authors of publication: Fathimath Salfeena, C. T.; Basavaraja, ?; Ashitha, K. T.; Kumar, V. Praveen; Varughese, Sunil; Suresh, Cherumuttathu H.; Sasidhar, B. S.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2018
• Journal volume: 54
• Journal issue: 88
• Pages of publication: 12463 - 12466
• a: 13.337 ± 0.006 Å
• b: 10.087 ± 0.004 Å
• c: 15.17 ± 0.007 Å
• α: 90°
• β: 93.785 ± 0.007°
• γ: 90°
• Cell volume: 2036.4 ± 1.5 ų
• Cell temperature: 302 ± 2 K
• Ambient diffraction temperature: 302 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0994
• Residual factor for significantly intense reflections: 0.0772
• Weighted residual factors for significantly intense reflections: 0.2163
• Weighted residual factors for all reflections included in the refinement: 0.2369
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No