Information card for entry 2237902

Structure parameters

• Chemical name: <i>rac</i>-Methyl 3-(2-methoxyphenyl)-3a,4-dihydro-3<i>H</i>-chromeno[4,3-<i>c</i>]isoxazole-3a-carboxylate
• Formula: C19 H17 N O5
• Calculated formula: C19 H17 N O5
• SMILES: COc1ccccc1[C@H]1ON=C2[C@]1(COc1c2cccc1)C(=O)OC.COc1ccccc1[C@@H]1ON=C2[C@@]1(COc1c2cccc1)C(=O)OC
• Title of publication: <i>rac</i>-Methyl 3-(2-methoxyphenyl)-3a,4-dihydro-3<i>H</i>-chromeno[4,3-<i>c</i>]isoxazole-3a-carboxylate
• Authors of publication: Paramasivam, S.; Srinivasan, J.; Seshadri, P. R.; Bakthadoss, M.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 5
• Pages of publication: o664
• a: 9.4804 ± 0.0004 Å
• b: 9.6401 ± 0.0004 Å
• c: 10.7013 ± 0.0005 Å
• α: 81.308 ± 0.002°
• β: 67.801 ± 0.002°
• γ: 69.085 ± 0.002°
• Cell volume: 845.71 ± 0.07 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0457
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for significantly intense reflections: 0.1063
• Weighted residual factors for all reflections included in the refinement: 0.1123
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes