Information card for entry 1575294

Structure parameters

• Formula: C22 H18 Cl3 N O S Ti
• Calculated formula: C22 H18 Cl3 N O S Ti
• Title of publication: The side-arm-effect controlled stereodivergent polymerization of 1-butene
• Authors of publication: Zhu, Guangyu; Wang, Liang; Tao, Wenjie; Hou, Hongbin; Xu, Guangqiang; Wang, Bo; Wang, Qinggang
• Journal of publication: Polymer Chemistry
• Year of publication: 2025
• Journal volume: 16
• Journal issue: 33
• Pages of publication: 3675 - 3682
• a: 23.9688 ± 0.0016 Å
• b: 8.5432 ± 0.0006 Å
• c: 30.1063 ± 0.0018 Å
• α: 90°
• β: 113.366 ± 0.003°
• γ: 90°
• Cell volume: 5659.3 ± 0.7 ų
• Cell temperature: 170 K
• Ambient diffraction temperature: 170 K
• Number of distinct elements: 7
• 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: 0.1356
• Residual factor for significantly intense reflections: 0.1138
• Weighted residual factors for significantly intense reflections: 0.2625
• Weighted residual factors for all reflections included in the refinement: 0.2766
• Goodness-of-fit parameter for all reflections included in the refinement: 1.14
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No