Information card for entry 2003364

Structure parameters

• Chemical name: 1-Trifluoroacetyl-3-trifluoromethyl-3a,8b-dihydro-1H,4H-indeno[1,2-c]pyrazole
• Formula: C13 H8 F6 N2 O
• Calculated formula: C13 H8 F6 N2 O
• Title of publication: 1-Trifluoroacetyl-3-trifluoromethyl-3a,8b-dihydro-1<i>H</i>,4<i>H</i>-indeno[1,2-<i>c</i>]pyrazole
• Authors of publication: Abdul-Ghani, M.; Pritchard, R. G.; Tipping, A. E.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1995
• Journal volume: 51
• Journal issue: 4
• Pages of publication: 770 - 772
• a: 10.648 ± 0.002 Å
• b: 12.589 ± 0.003 Å
• c: 18.594 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2492.5 ± 0.9 ų
• Cell temperature: 233 K
• Ambient diffraction temperature: 233 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for significantly intense reflections: 0.0387
• Weighted residual factors for significantly intense reflections: 0.0458
• Goodness-of-fit parameter for significantly intense reflections: 1.15
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No