Information card for entry 2006246

Structure parameters

• Common name: 4,5,6,7,8,9-Hexamethoxy-indeno[1,2,3-ij]isoquinoline
• Formula: C21 H21 N O6
• Calculated formula: C21 H21 N O6
• SMILES: c1cc2c3c(c4c(c3c(c(c2OC)OC)OC)c(c(c(c4)OC)OC)OC)n1
• Title of publication: 4,5,6,7,8,9-Hexamethoxyindeno[1,2,3-<i>ij</i>]isoquinoline
• Authors of publication: Scherowsky, Günter; Frackowiak, Esther; Adam, David
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1997
• Journal volume: 53
• Journal issue: 6
• Pages of publication: IUC9700005
• a: 19.133 ± 0.002 Å
• b: 10.2247 ± 0.001 Å
• c: 20.0835 ± 0.0014 Å
• α: 90°
• β: 107.55 ± 0.02°
• γ: 90°
• Cell volume: 3746 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1498
• Residual factor for significantly intense reflections: 0.0691
• Weighted residual factors for all reflections: 0.2177
• Weighted residual factors for significantly intense reflections: 0.1663
• Goodness-of-fit parameter for all reflections: 1.191
• Goodness-of-fit parameter for significantly intense reflections: 1.319
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No