Information card for entry 1567964

Structure parameters

• Formula: C21 H20 Br P
• Calculated formula: C21 H20 Br P
• SMILES: [Br-].[P+](CC=C)(c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: A one-component phosphonium borane Lewis pair serves as a dual initiator and catalyst in the ring-opening alternating copolymerization of anhydrides and epoxides
• Authors of publication: Hui, Jiwen; Wang, Xiaowu; Yao, Xiaoqian; Li, Zhibo
• Journal of publication: Polymer Chemistry
• Year of publication: 2022
• Journal volume: 13
• Journal issue: 47
• Pages of publication: 6551 - 6563
• a: 10.8668 ± 0.0011 Å
• b: 9.9356 ± 0.0009 Å
• c: 17.4186 ± 0.0018 Å
• α: 90°
• β: 105.376 ± 0.004°
• γ: 90°
• Cell volume: 1813.3 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1057
• Residual factor for significantly intense reflections: 0.0695
• Weighted residual factors for significantly intense reflections: 0.1626
• Weighted residual factors for all reflections included in the refinement: 0.1754
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No