Information card for entry 2217817

Structure parameters

• Chemical name: 8-Hydroxy-8-phenyl-2,3,7,8-tetrahydro-6<i>H</i>-1,4-dioxino[2,3-f]isoindol-6-one
• Formula: C16 H13 N O4
• Calculated formula: C16 H13 N O4
• SMILES: O1CCOc2cc3C(=O)NC(O)(c3cc12)c1ccccc1
• Title of publication: 8-Hydroxy-8-phenyl-2,3,7,8-tetrahydro-6<i>H</i>-1,4-dioxino[2,3-<i>f</i>]isoindol-6-one
• Authors of publication: Tafeenko, Viktor A.; Aslanov, Leonid A.; Khasanov, Mahmud I.; Mochalov, Sergei S.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 3
• Pages of publication: o548
• a: 8.6001 ± 0.0017 Å
• b: 27.005 ± 0.005 Å
• c: 5.7221 ± 0.0005 Å
• α: 90°
• β: 92.602 ± 0.01°
• γ: 90°
• Cell volume: 1327.6 ± 0.4 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 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: 0.0883
• Residual factor for significantly intense reflections: 0.0536
• Weighted residual factors for significantly intense reflections: 0.1298
• Weighted residual factors for all reflections included in the refinement: 0.1469
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes