Information card for entry 2239198

Structure parameters

• Common name: 1,3,5-Tris(phthalimidomethyl)-2,4,6-tris(bromomethyl)benzene toluene monosolvate
• Chemical name: 2-{2,4,6-Tris(bromomethyl)-3,5-bis[(1,3-dioxoisoindolin-2-yl)methyl]benzyl}isoindoline-1,3-dione toluene monosolvate
• Formula: C43 H32 Br3 N3 O6
• Calculated formula: C43 H32 Br3 N3 O6
• SMILES: Cc1ccccc1.BrCc1c(CN2C(=O)c3c(C2=O)cccc3)c(CBr)c(c(c1CN1C(=O)c2c(C1=O)cccc2)CBr)CN1C(=O)c2c(C1=O)cccc2
• Title of publication: 2-{2,4,6-Tris(bromomethyl)-3,5-bis[(1,3-dioxoisoindolin-2-yl)methyl]benzyl}isoindoline-1,3-dione toluene monosolvate
• Authors of publication: Koch, Niklas; Seichter, Wilhelm; Mazik, Monika
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 4
• Pages of publication: o393 - o394
• a: 9.2879 ± 0.0002 Å
• b: 39.273 ± 0.0011 Å
• c: 10.5592 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3851.61 ± 0.17 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0296
• Residual factor for significantly intense reflections: 0.0258
• Weighted residual factors for significantly intense reflections: 0.0565
• Weighted residual factors for all reflections included in the refinement: 0.0574
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes