Information card for entry 4128134

Structure parameters

• Formula: C64 H132 Al2 Li2 O8 P4 Si4
• Calculated formula: C64 H132 Al2 Li2 O8 P4 Si4
• SMILES: C[Si]([C@]12P3P([C@]([Al]1(CC)CC)(C(=C2C)C)[Si](C)(C)C)P1[C@]2(C(=C([C@@](P31)([Al]2(CC)CC)[Si](C)(C)C)C)C)[Si](C)(C)C)(C)C.[Li]([O]1CCCC1)([O]1CCCC1)([O]1CCCC1)[O]1CCCC1.[Li]([O]1CCCC1)([O]1CCCC1)([O]1CCCC1)[O]1CCCC1
• Title of publication: Direct Functionalization of White Phosphorus to Cyclotetraphosphanes: Selective Formation of Four P-C Bonds.
• Authors of publication: Du, Shanshan; Yang, Jimin; Hu, Jingyuan; Chai, Zhengqi; Luo, Gen; Luo, Yi; Zhang, Wen-Xiong; Xi, Zhenfeng
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• Journal volume: 141
• Journal issue: 17
• Pages of publication: 6843 - 6847
• a: 22.2409 ± 0.0011 Å
• b: 16.5648 ± 0.0011 Å
• c: 22.3829 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8246.2 ± 0.8 ų
• Cell temperature: 100.01 ± 0.1 K
• Ambient diffraction temperature: 100.01 ± 0.1 K
• Number of distinct elements: 7
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.1097
• Residual factor for significantly intense reflections: 0.078
• Weighted residual factors for significantly intense reflections: 0.2033
• Weighted residual factors for all reflections included in the refinement: 0.2225
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No