Information card for entry 2007744

Structure parameters

• Chemical name: 1,2,3,4,5,6,7,8,9,10-decahydro-3,3,6,6-tetramethyl-1,8-dioxo-10- vinylacridin-9-yl-methyl acetate
• Formula: C23 H31 N O4
• Calculated formula: C23 H31 N O4
• SMILES: C1C(CC(=O)C2=C1N(C1=C(C2COC(=O)C)C(=O)CC(C1)(C)C)CC=C)(C)C
• Title of publication: 1,2,3,4,5,6,7,8,9,10-Decahydro-3,3,6,6-tetramethyl-1,8-dioxo-10-vinylacridin-9-ylmethyl Acetate
• Authors of publication: R. Sankaranarayanan; D. Velmurugan; P. Murugan; N.Ramasubbu
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 10
• Pages of publication: 1534 - 1535
• a: 9.747 ± 0.005 Å
• b: 14.882 ± 0.004 Å
• c: 15.48 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2245.4 ± 1.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.108
• Residual factor for significantly intense reflections: 0.052
• Weighted residual factors for all reflections: 0.158
• Weighted residual factors for significantly intense reflections: 0.13
• Goodness-of-fit parameter for all reflections: 1.089
• Goodness-of-fit parameter for significantly intense reflections: 1.175
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes