Information card for entry 2243964

Structure parameters

• Chemical name: 3,3'-([1,1':4',1''-Terphenyl]-2,2''-diyl)bis(2,2,4,4-tetramethylpentan-3-ol) dichloromethane monosolvate
• Formula: C37 H52 Cl2 O2
• Calculated formula: C37 H52 Cl2 O2
• Title of publication: Synthesis and structure of a new bulky bis(alkoxide) ligand on a terphenyl platform
• Authors of publication: Kurup, Sudheer S.; Nasser, Sandra; Ward, Cassandra L.; Groysman, Stanislav
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2022
• Journal volume: 78
• Journal issue: 1
• Pages of publication: 92 - 96
• a: 8.2449 ± 0.0004 Å
• b: 9.1248 ± 0.0004 Å
• c: 12.1825 ± 0.0006 Å
• α: 101.53 ± 0.002°
• β: 102.729 ± 0.003°
• γ: 109.2 ± 0.002°
• Cell volume: 806.53 ± 0.07 ų
• Cell temperature: 100.1 K
• Ambient diffraction temperature: 100.1 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: 0.0698
• Residual factor for significantly intense reflections: 0.0513
• Weighted residual factors for significantly intense reflections: 0.1246
• Weighted residual factors for all reflections included in the refinement: 0.1357
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes