Information card for entry 7115236

Structure parameters

• Formula: C14 H15 F3 N2 O2
• Calculated formula: C14 H12 F3 N2 O2
• Title of publication: Unambiguous characterisation of dienylimines as intermediates in Fischer indolisation of o-substituted N-trifluoroacetyl enehydrazines
• Authors of publication: Miyata, Okiko; Kimura, Yasuo; Naito, Takeaki
• Journal of publication: Chemical Communications
• Year of publication: 1999
• Journal issue: 23
• Pages of publication: 2429
• a: 11.277 ± 0.002 Å
• b: 12.015 ± 0.002 Å
• c: 11.056 ± 0.002 Å
• α: 97.87 ± 0.01°
• β: 94.66 ± 0.02°
• γ: 71.73 ± 0.01°
• Cell volume: 1407.9 ± 0.4 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0776
• Residual factor for significantly intense reflections: 0.0684
• Weighted residual factors for significantly intense reflections: 0.2296
• Weighted residual factors for all reflections included in the refinement: 0.2379
• Goodness-of-fit parameter for all reflections included in the refinement: 1.941
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No