Information card for entry 4128135

Structure parameters

• Formula: C76 H152 Al2 Li2 O10 P4 Si4
• Calculated formula: C76 H152 Al2 Li2 O10 P4 Si4
• SMILES: [C@]12(C3=C([C@](P4P2P2[C@@]5(C6=C([C@](P42)([Al]5(CC)CC)[Si](C)(C)C)CCCC6)[Si](C)(C)C)([Al]1(CC)CC)[Si](C)(C)C)CCCC3)[Si](C)(C)C.[Li]([O]1CCCC1)([O]1CCCC1)([O]1CCCC1)[O]1CCCC1.[Li]([O]1CCCC1)([O]1CCCC1)([O]1CCCC1)[O]1CCCC1.O1CCCC1.O1CCCC1
• 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: 16.4422 ± 0.0002 Å
• b: 20.0536 ± 0.0003 Å
• c: 27.5154 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9072.5 ± 0.2 ų
• Cell temperature: 180 ± 0.3 K
• Ambient diffraction temperature: 180 ± 0.3 K
• Number of distinct elements: 7
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0826
• Residual factor for significantly intense reflections: 0.0738
• Weighted residual factors for significantly intense reflections: 0.1997
• Weighted residual factors for all reflections included in the refinement: 0.2094
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No