Information card for entry 7228379

Structure parameters

• Common name: 1,1',1''-((2,4,6-trimethylbenzene-1,3,5-triyl) tris(methylene))tris(5-methylindoline-2,3-dione)
• Chemical name: 1,1',1''-((2,4,6-trimethylbenzene-1,3,5-triyl) tris(methylene))tris(5-methylindoline-2,3-dione)
• Formula: C39.83 H34.25 N3.42 O6
• Calculated formula: C39.83 H34.245 N3.415 O6
• Title of publication: Conformations of benzene-based tripodal isatin-bearing compounds in the crystalline state
• Authors of publication: Mazik, Monika; Schulze, Mathias M.; Schwarzer, Anke
• Journal of publication: CrystEngComm
• Year of publication: 2017
• a: 15.939 ± 0.0007 Å
• b: 11.9019 ± 0.0007 Å
• c: 17.5127 ± 0.0009 Å
• α: 90°
• β: 102.591 ± 0.004°
• γ: 90°
• Cell volume: 3242.3 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.1505
• Residual factor for significantly intense reflections: 0.0667
• Weighted residual factors for significantly intense reflections: 0.1118
• Weighted residual factors for all reflections included in the refinement: 0.1485
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No