Information card for entry 2207208

Structure parameters

• Chemical name: 3,3,6,6-Tetramethyl-9-(2-oxo-1,2-dihydroquinolin-3-yl)- 1,2,3,4,5,6,7,8-octahydro-9H-xanthene-1,8-dione
• Formula: C26 H27 N O4
• Calculated formula: C26 H27 N O4
• SMILES: C1(=O)CC(CC2=C1C(C1=C(CC(CC1=O)(C)C)O2)c1cc2ccccc2[nH]c1=O)(C)C
• Title of publication: 3,3,6,6-Tetramethyl-9-(2-oxo-1,2-dihydroquinolin-3-yl)-1,2,3,4,5,6,7,8-octahydro-9<i>H</i>-xanthene-1,8-dione
• Authors of publication: S. Selvanayagam; Jasmin Paul; D. Velmurugan; K. Ravikumar; R. Rathna Durga
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 11
• Pages of publication: o3701 - o3703
• a: 22.2713 ± 0.0012 Å
• b: 11.9162 ± 0.0006 Å
• c: 17.2698 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4583.2 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.0699
• Residual factor for significantly intense reflections: 0.0496
• Weighted residual factors for significantly intense reflections: 0.1299
• Weighted residual factors for all reflections included in the refinement: 0.1446
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes