Information card for entry 7043170

Structure parameters

• Formula: C45 H77 B Li N5 O3 Si2
• Calculated formula: C45 H77 B Li N5 O3 Si2
• Title of publication: Facile ring-opening of THF at lithium induced by a pendant Si-H bond and BPh3
• Authors of publication: Okuda, Jun; Mukherjee, Debabrata; Osseili, Hassan; Spaniol, Thomas Paul
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 11.063 ± 0.004 Å
• b: 11.919 ± 0.007 Å
• c: 19.901 ± 0.011 Å
• α: 87.199 ± 0.012°
• β: 77.299 ± 0.012°
• γ: 65.471 ± 0.011°
• Cell volume: 2326 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2292
• Residual factor for significantly intense reflections: 0.0841
• Weighted residual factors for significantly intense reflections: 0.1721
• Weighted residual factors for all reflections included in the refinement: 0.2
• Goodness-of-fit parameter for all reflections included in the refinement: 0.835
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No