Information card for entry 2010946

Structure parameters

• Formula: C19 H15 N O6
• Calculated formula: C19 H15 N O6
• SMILES: o1nc(c(c1C(=O)OC)C(=O)c1c(O)cccc1)c1ccc(OC)cc1
• Title of publication: Methyl 3-<i>para</i>-anisyl-4-(2-hydroxybenzoyl)isoxazole-5-carboxylate
• Authors of publication: Filali Baba, Bouchra; Kerbal, Abdelali; Bitit, Najib; El-Bali, Brahim; Escudie, Jean; Ranaivonjatovo, Henry; Bolte, Michael
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 5
• Pages of publication: e205 - e206
• a: 11.172 ± 0.001 Å
• b: 9.337 ± 0.001 Å
• c: 15.634 ± 0.001 Å
• α: 90°
• β: 94.1 ± 0.01°
• γ: 90°
• Cell volume: 1626.7 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.053
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for all reflections included in the refinement: 0.105
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes