Information card for entry 2215211

Structure parameters

• Chemical name: 2,3,8,12,13-Pentamethoxy-5H-dibenzo[c,n]acridin-7(6H)-one toluene solvate
• Formula: C33 H33 N O6
• Calculated formula: C33 H33 N O6
• SMILES: C1C(=O)C(=CC2=Cc3c(C4=Nc5c(CC124)cc(c(c5)OC)OC)cc(c(c3)OC)OC)OC.c1(ccccc1)C
• Title of publication: 2,3,8,12,13-Pentamethoxy-5<i>H</i>-dibenzo[<i>c</i>,<i>n</i>]acridin-7(6<i>H</i>)-one toluene solvate
• Authors of publication: Marlon R Lutz Jr; Matthias Zeller; Daniel P. Becker
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 9
• Pages of publication: o3857 - o3858
• a: 14.952 ± 0.004 Å
• b: 7.1736 ± 0.0018 Å
• c: 25.787 ± 0.006 Å
• α: 90°
• β: 94.571 ± 0.007°
• γ: 90°
• Cell volume: 2757.1 ± 1.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.105
• Residual factor for significantly intense reflections: 0.0759
• Weighted residual factors for significantly intense reflections: 0.1812
• Weighted residual factors for all reflections included in the refinement: 0.1987
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes