Information card for entry 2006607

Structure parameters

• Chemical name: 9-(2-phenylethyl)-3,3,6,6 tetramethyl-3,4,6,7,910-hexahydro-1,8(2H,5H) acridine dione
• Formula: C25 H31 N O2
• Calculated formula: C25 H31 N O2
• SMILES: O=C1CC(CC2=C1C(C1=C(CC(CC1=O)(C)C)N2)CCc1ccccc1)(C)C
• Title of publication: 3,3,6,6-Tetramethyl-9-(2-phenylethyl)-3,4,6,7,9,10-hexahydro-1,8(2<i>H</i>,5<i>H</i>)-acridinedione
• Authors of publication: K. Gunasekaran; D. Velmurugan; P. Murugan
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1997
• Journal volume: 53
• Journal issue: 10
• Pages of publication: 1512 - 1514
• a: 16.657 ± 0.001 Å
• b: 7.351 ± 0.002 Å
• c: 18.4 ± 0.002 Å
• α: 90°
• β: 108.3 ± 0.01°
• γ: 90°
• Cell volume: 2139.1 ± 0.7 ų
• Cell temperature: 293 ± 2 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: 0.0583
• Residual factor for significantly intense reflections: 0.0515
• Weighted residual factors for all reflections: 0.1604
• Weighted residual factors for significantly intense reflections: 0.1386
• Goodness-of-fit parameter for all reflections: 1.066
• Goodness-of-fit parameter for significantly intense reflections: 1.096
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No