Information card for entry 1575295

Structure parameters

• Formula: C23 H21 Cl3 N2 O Ti
• Calculated formula: C23 H21 Cl3 N2 O 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: 8.607 ± 0.002 Å
• b: 9.769 ± 0.003 Å
• c: 14.479 ± 0.004 Å
• α: 99.66 ± 0.012°
• β: 99.136 ± 0.012°
• γ: 105.067 ± 0.013°
• Cell volume: 1132.4 ± 0.5 ų
• Cell temperature: 170 K
• Ambient diffraction temperature: 170 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1885
• Residual factor for significantly intense reflections: 0.0996
• Weighted residual factors for significantly intense reflections: 0.2461
• Weighted residual factors for all reflections included in the refinement: 0.3127
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No