Information card for entry 2238116

Structure parameters

• Common name: 1,3,5-Tris[(phthalimido)methyl]-2,4,6-trimethoxybenzene
• Chemical name: 2,2',2''-[(2,4,6-Trimethoxybenzene-1,3,5-triyl)tris(methylene)]tris(isoindole-1,3-dione)
• Formula: C36 H27 N3 O9
• Calculated formula: C36 H27 N3 O9
• SMILES: COc1c(CN2C(=O)c3c(C2=O)cccc3)c(OC)c(c(c1CN1C(=O)c2c(C1=O)cccc2)OC)CN1C(=O)c2c(C1=O)cccc2
• Title of publication: 2,2',2''-[(2,4,6-Trimethoxybenzene-1,3,5-triyl)tris(methylene)]tris(isoindole-1,3-dione)
• Authors of publication: Rosien, Jan-Ruven; Seichter, Wilhelm; Mazik, Monika
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 5
• Pages of publication: o680
• a: 10.237 ± 0.0003 Å
• b: 10.3671 ± 0.0003 Å
• c: 14.6501 ± 0.0004 Å
• α: 79.804 ± 0.001°
• β: 79.512 ± 0.001°
• γ: 83.874 ± 0.001°
• Cell volume: 1500.2 ± 0.07 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0454
• Residual factor for significantly intense reflections: 0.0394
• Weighted residual factors for significantly intense reflections: 0.0954
• Weighted residual factors for all reflections included in the refinement: 0.1
• Goodness-of-fit parameter for all reflections included in the refinement: 0.956
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes