Information card for entry 2011365

Structure parameters

• Formula: C18 H14 N2 O6
• Calculated formula: C18 H14 N2 O6
• SMILES: O1C(=O)c2cc(OC)c(OC)cc2N=C1/C=C/c1ccc(N(=O)=O)cc1
• Title of publication: 2-[2-(5-Nitro-2-thienyl)ethenyl]-4<i>H</i>-3,1-benzoxazine-4-one, 2-[2-(4-nitrophenyl)ethenyl]-4<i>H</i>-3,1-benzoxazine-4-one and 6,7-dimethoxy-2-[2-(4-nitrophenyl)ethenyl]-4<i>H</i>-3,1-benzoxazine-4-one
• Authors of publication: Kovalevsky, A. Yu.; Ponomarev, I. I.; Baranova, M. A.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 9
• Pages of publication: e408 - e409
• a: 6.8484 ± 0.001 Å
• b: 7.2348 ± 0.0014 Å
• c: 16.806 ± 0.003 Å
• α: 93.801 ± 0.015°
• β: 96.783 ± 0.013°
• γ: 105.321 ± 0.013°
• Cell volume: 793.3 ± 0.2 ų
• Cell temperature: 208 ± 2 K
• Ambient diffraction temperature: 208 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.12
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for all reflections: 0.143
• Weighted residual factors for all reflections included in the refinement: 0.101
• Goodness-of-fit parameter for all reflections: 1.024
• Goodness-of-fit parameter for all reflections included in the refinement: 1.108
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No