Information card for entry 1572431

Structure parameters

• Formula: C43 H56 O3 W
• Calculated formula: C43 O3 W
• Title of publication: Snapshot of Cyclooctyne Ring-Opening to a Tethered Alkylidene Cyclic Polymer Catalyst
• Authors of publication: Hurst, Javier; Yadav, Rinku; Boeck, Parker T.; Ghiviriga, Ion; Brantley, ChristiAnna; Dobrzycki, Lukasz; Veige, Adam S.
• Journal of publication: Chemical Science
• Year of publication: 2024
• a: 10.8411 ± 0.0003 Å
• b: 16.8936 ± 0.0005 Å
• c: 20.2912 ± 0.0005 Å
• α: 90°
• β: 99.748 ± 0.001°
• γ: 90°
• Cell volume: 3662.58 ± 0.17 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0347
• Residual factor for significantly intense reflections: 0.0304
• Weighted residual factors for significantly intense reflections: 0.0646
• Weighted residual factors for all reflections included in the refinement: 0.0661
• Goodness-of-fit parameter for all reflections included in the refinement: 1.142
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No