Information card for entry 7242489

Structure parameters

• Formula: C20 H22 O
• Calculated formula: C20 H22 O
• Title of publication: Synthesis of zirconocene complexes and their use in slurry-phase polymerisation of ethylene
• Authors of publication: Angpanitcharoen, Phakpoom; Lamb, Jessica V.; Buffet, Jean-Charles; Turner, Zoë R.; O'Hare, Dermot
• Journal of publication: RSC Advances
• Year of publication: 2021
• Journal volume: 11
• Journal issue: 19
• Pages of publication: 11529 - 11535
• a: 10.6474 ± 0.0013 Å
• b: 5.8091 ± 0.0007 Å
• c: 24.587 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1520.8 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150.01 ± 0.1 K
• Number of distinct elements: 3
• Space group number: 33
• Hermann-Mauguin space group symbol: P n 21 a
• Hall space group symbol: P -2ac -2n
• Residual factor for all reflections: 0.0767
• Residual factor for significantly intense reflections: 0.056
• Weighted residual factors for significantly intense reflections: 0.1466
• Weighted residual factors for all reflections included in the refinement: 0.1661
• Goodness-of-fit parameter for all reflections included in the refinement: 0.979
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No