Information card for entry 2213559

Structure parameters

• Chemical name: 7,8,9,10-Tetrachloro-10b-(2-hydroxy-1-phenylethyl)-3,4-dihydro-2H-1,3-oxazino[2,3-a]isoindol-6(10bH)-one
• Formula: C19 H15 Cl4 N O3
• Calculated formula: C19 H15 Cl4 N O3
• SMILES: Clc1c(Cl)c(Cl)c(Cl)c2C(=O)N3[C@@](OCCC3)(c12)[C@@H](c1ccccc1)CO.Clc1c(Cl)c(Cl)c(Cl)c2C(=O)N3[C@](OCCC3)(c12)[C@H](c1ccccc1)CO
• Title of publication: 7,8,9,10-Tetrachloro-10b-(2-hydroxy-1-phenylethyl)-3,4-dihydro-2<i>H</i>-1,3-oxazino[2,3-<i>a</i>]isoindol-6(10b<i>H</i>)-one
• Authors of publication: Hoong-Kun Fun; Jia-Jun Yue; Jian-Hua Xu; Suchada Chantrapromma
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 5
• Pages of publication: o2151 - o2153
• a: 8.3221 ± 0.0003 Å
• b: 8.7849 ± 0.0002 Å
• c: 14.9376 ± 0.0004 Å
• α: 100.189 ± 0.002°
• β: 95.084 ± 0.002°
• γ: 117.496 ± 0.002°
• Cell volume: 935.12 ± 0.05 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 297 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0764
• Residual factor for significantly intense reflections: 0.0515
• Weighted residual factors for significantly intense reflections: 0.136
• Weighted residual factors for all reflections included in the refinement: 0.1594
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes