Information card for entry 7228377

Structure parameters

• Common name: 1,1',1''-(2,4,6-triethylbenzene-1,3,5-triyl)tris(methylene) triindoline-2,3-dione
• Chemical name: 1,1',1''-(2,4,6-triethylbenzene-1,3,5-triyl)tris(methylene) triindoline-2,3-dione
• Formula: C45 H48 N3 O9
• Calculated formula: C45 H48 N3 O9
• 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: 8.7193 ± 0.0003 Å
• b: 13.537 ± 0.0005 Å
• c: 17.0293 ± 0.0007 Å
• α: 90.53 ± 0.003°
• β: 101.315 ± 0.003°
• γ: 96.462 ± 0.003°
• Cell volume: 1957.42 ± 0.13 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0835
• Residual factor for significantly intense reflections: 0.064
• Weighted residual factors for significantly intense reflections: 0.1566
• Weighted residual factors for all reflections included in the refinement: 0.1701
• Goodness-of-fit parameter for all reflections included in the refinement: 1.191
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No