Information card for entry 2010598

Structure parameters

• Formula: C19 H8 F6 N2 O4
• Calculated formula: C19 H8 F6 N2 O4
• SMILES: O=c1oc(nc2c1cc(cc2)Cc1ccc2c(c1)c(=O)oc(n2)C(F)(F)F)C(F)(F)F
• Title of publication: A series of three bis[2-(methyl/trifluoromethyl)-4<i>H</i>-3,1-benzoxazin-4-one] compounds
• Authors of publication: Kovalevsky, A. Yu.; Ponomarev, I. I.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 2
• Pages of publication: 260 - 262
• a: 25.643 ± 0.017 Å
• b: 5.206 ± 0.002 Å
• c: 16.211 ± 0.01 Å
• α: 90°
• β: 126.35 ± 0.04°
• γ: 90°
• Cell volume: 1743 ± 1.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.167
• Residual factor for significantly intense reflections: 0.081
• Weighted residual factors for all reflections: 0.471
• Weighted residual factors for all reflections included in the refinement: 0.209
• Goodness-of-fit parameter for all reflections: 1.052
• Goodness-of-fit parameter for all reflections included in the refinement: 1.157
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No