Information card for entry 2229229

Structure parameters

• Chemical name: 6,9-Dimethoxy-3,4-dihydro-1<i>H</i>-1,4-oxazino[4,3-<i>a</i>]indol-1-one
• Formula: C13 H13 N O4
• Calculated formula: C13 H13 N O4
• SMILES: n12CCOC(=O)c1cc1c(ccc(c21)OC)OC
• Title of publication: 6,9-Dimethoxy-3,4-dihydro-1<i>H</i>-1,4-oxazino[4,3-<i>a</i>]indol-1-one
• Authors of publication: Salas, Cristian O.; Tapia, Ricardo A.; Prieto, Yolanda
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 2
• Pages of publication: o318
• a: 8.414 ± 0.002 Å
• b: 6.9722 ± 0.0019 Å
• c: 19.331 ± 0.005 Å
• α: 90°
• β: 101.276 ± 0.004°
• γ: 90°
• Cell volume: 1112.1 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• 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: 0.0475
• Residual factor for significantly intense reflections: 0.0383
• Weighted residual factors for significantly intense reflections: 0.0954
• Weighted residual factors for all reflections included in the refinement: 0.1015
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes