Information card for entry 1545905

Structure parameters

• Formula: C126 H183 Cl6 O3 W1.5
• Calculated formula: C126 H183 Cl6 O3 W1.5
• Title of publication: Synthesis of 2,6-Hexa-tert-butylterphenyl Derivatives, 2,6-(2,4,6-t-Bu3C6H2)2C6H3X, where X = I, Li, OH, SH, N3, or NH2
• Authors of publication: Bukhryakov, Konstantin V.; Schrock, Richard R.; Hoveyda, Amir H.; Müller, Peter; Becker, Jonathan
• Journal of publication: Organic Letters
• Year of publication: 2017
• a: 19.931 ± 0.004 Å
• b: 65.396 ± 0.014 Å
• c: 18.862 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 24585 ± 9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1796
• Residual factor for significantly intense reflections: 0.1707
• Weighted residual factors for significantly intense reflections: 0.4547
• Weighted residual factors for all reflections included in the refinement: 0.4625
• Goodness-of-fit parameter for all reflections included in the refinement: 1.274
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No