Information card for entry 7131081

Structure parameters

• Formula: C18 H14 F3 N O2
• Calculated formula: C18 H14 F3 N O2
• Title of publication: Additive-free synthesis of fused tricyclic cyanoisoxazolidines using <i>in situ</i> formed cyanonitrones.
• Authors of publication: Jamali, Muhammad Fahad; Yadav, Usha; Babu, Mary Merlin Manjaly; Kant, Ruchir; Mohanan, Kishor
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2023
• Journal volume: 59
• Journal issue: 4
• Pages of publication: 446 - 449
• a: 9.1642 ± 0.0008 Å
• b: 8.5725 ± 0.0007 Å
• c: 19.4137 ± 0.0017 Å
• α: 90°
• β: 98.682 ± 0.003°
• γ: 90°
• Cell volume: 1507.7 ± 0.2 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 5
• 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: 0.0854
• Residual factor for significantly intense reflections: 0.0537
• Weighted residual factors for significantly intense reflections: 0.1325
• Weighted residual factors for all reflections included in the refinement: 0.1727
• Goodness-of-fit parameter for all reflections included in the refinement: 1.156
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No