Information card for entry 2214609

Structure parameters

• Chemical name: 3,<i>N</i>-Bis(trifluoroacetyl)-7-methyloxazolo[3,2-a]pyridinium-2-imidate
• Formula: C12 H6 F6 N2 O3
• Calculated formula: C12 H6 F6 N2 O3
• Title of publication: 7-Methyl-3,<i>N</i>-bis(trifluoroacetyl)oxazolo[3,2-<i>a</i>]pyridinium-2-imidate
• Authors of publication: Victor B. Rybakov; Alexander A. Bush; Sergei I. Troyanov; Eugene V. Babaev; Erhard Kemnitz
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 8
• Pages of publication: o3619 - o3619
• a: 5.7996 ± 0.0005 Å
• b: 20.838 ± 0.002 Å
• c: 10.4259 ± 0.0008 Å
• α: 90°
• β: 91.1 ± 0.007°
• γ: 90°
• Cell volume: 1259.76 ± 0.19 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0543
• Residual factor for significantly intense reflections: 0.0483
• Weighted residual factors for significantly intense reflections: 0.125
• Weighted residual factors for all reflections included in the refinement: 0.1313
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes