Information card for entry 1572430

Structure parameters

• Formula: C47 H60 O2 W
• Calculated formula: C47 H60 O2 W
• Title of publication: Snapshot of cyclooctyne ring-opening to a tethered alkylidene cyclic polymer catalyst.
• Authors of publication: Hurst, Javier M.; Yadav, Rinku; Boeck, Parker T.; Ghiviriga, Ion; Brantley, ChristiAnna L; Dobrzycki, Łukasz; Veige, Adam S.
• Journal of publication: Chemical science
• Year of publication: 2024
• Journal volume: 15
• Journal issue: 38
• Pages of publication: 15873 - 15879
• a: 10.52 ± 0.04 Å
• b: 14.31 ± 0.07 Å
• c: 14.38 ± 0.06 Å
• α: 82.65 ± 0.09°
• β: 74.13 ± 0.11°
• γ: 72.38 ± 0.08°
• Cell volume: 1982 ± 15 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0348
• Residual factor for significantly intense reflections: 0.0264
• Weighted residual factors for significantly intense reflections: 0.0513
• Weighted residual factors for all reflections included in the refinement: 0.0536
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No