Information card for entry 2007794

Structure parameters

• Chemical name: 9-(1,4-dioxano [5,6-b]) acridinone
• Formula: C15 H11 N O3
• Calculated formula: C15 H11 N O3
• SMILES: [nH]1c2cc3c(cc2c(=O)c2ccccc12)OCCO3
• Title of publication: 2,3-Dihydrodioxin[2,3-<i>b</i>]acridin-11(6<i>H</i>)-one
• Authors of publication: Karolak-Wojciechowska, Janina; Mrozek, Agnieszka; Trzeźwińska, Barbara; Morel, Sandrine; Galy, Jean-Pierre; Barbe, Jacques
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 11
• Pages of publication: 1689 - 1690
• a: 5.161 ± 0.001 Å
• b: 17.694 ± 0.004 Å
• c: 13.155 ± 0.003 Å
• α: 90°
• β: 96.64 ± 0.03°
• γ: 90°
• Cell volume: 1193.2 ± 0.5 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 ± 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: 0.0419
• Residual factor for significantly intense reflections: 0.0378
• Weighted residual factors for all reflections: 0.1158
• Weighted residual factors for significantly intense reflections: 0.1123
• Goodness-of-fit parameter for all reflections: 1.11
• Goodness-of-fit parameter for significantly intense reflections: 1.11
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No