Information card for entry 7228373

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: C39.68 H33.68 Cl2.04 N3 O6
• Calculated formula: C39.68 H33.68 Cl2.04 N3 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: 8.1987 ± 0.0005 Å
• b: 13.5765 ± 0.0008 Å
• c: 16.0434 ± 0.001 Å
• α: 86.101 ± 0.005°
• β: 78.373 ± 0.005°
• γ: 88.442 ± 0.005°
• Cell volume: 1744.93 ± 0.19 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1143
• Residual factor for significantly intense reflections: 0.073
• Weighted residual factors for significantly intense reflections: 0.1743
• Weighted residual factors for all reflections included in the refinement: 0.2053
• Goodness-of-fit parameter for all reflections included in the refinement: 1.114
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No