Information card for entry 2204373

Structure parameters

• Chemical name: 3,3,6,6-Tetramethyl-N-hydroxy-9-(4-fluorophenyl)-1,2,3,4,5,6,7,8,9,10- decahydroacridine-1,8-dione monohydrate
• Formula: C23 H28 F N O4
• Calculated formula: C23 H28 F N O4
• SMILES: Fc1ccc(cc1)C1C2=C(N(O)C3=C1C(=O)CC(C3)(C)C)CC(CC2=O)(C)C.O
• Title of publication: 9-(4-Fluorophenyl)-<i>N</i>-hydroxy-3,3,6,6-tetramethyl-1,2,3,4,5,6,7,8,9,10-decahydroacridine-1,8-dione monohydrate
• Authors of publication: Shujiang Tu; Fang Fang; Songlei Zhu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 10
• Pages of publication: o1677 - o1679
• a: 12.638 ± 0.002 Å
• b: 14.039 ± 0.003 Å
• c: 12.102 ± 0.002 Å
• α: 90°
• β: 94.6 ± 0.01°
• γ: 90°
• Cell volume: 2140.3 ± 0.7 ų
• Cell temperature: 288 ± 2 K
• Ambient diffraction temperature: 288 ± 2 K
• Number of distinct elements: 5
• 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: 0.0746
• Residual factor for significantly intense reflections: 0.0398
• Weighted residual factors for significantly intense reflections: 0.0932
• Weighted residual factors for all reflections included in the refinement: 0.102
• Goodness-of-fit parameter for all reflections included in the refinement: 0.906
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes