Information card for entry 1560111

Structure parameters

• Formula: C74 H86 Li4 O2 P2 Si4
• Calculated formula: C74 H86 Li4 O2 P2 Si4
• SMILES: [p]123[c]45[c]67cccc4C=[C]([Si](C)(C)c4ccccc4)([Li]2[O]2CCCC2)[Li]2489[p]%10%11[c]%122[c]4(cccc%12C=[C]([Si](C)(C)c2ccccc2)([Li]%11[O]2CCCC2)[Li]2357[cH]6[c]12[Si](C)(C)c1ccccc1)[cH]8[c]9%10[Si](C)(C)c1ccccc1.Cc1ccccc1.Cc1ccccc1
• Title of publication: Sterically constrained tricyclic phosphine: redox behaviour, reductive and oxidative cleavage of P‒C bonds, generation of a dilithium phosphaindole as a promising synthon in phosphine chemistry
• Authors of publication: Brand, Alexander; Schulz, Stephen; Hepp, Alexander; Weigand, Jan J.; Uhl, Werner
• Journal of publication: Chemical Science
• Year of publication: 2021
• Journal volume: 12
• Journal issue: 10
• Pages of publication: 3460 - 3474
• a: 11.4716 ± 0.0004 Å
• b: 12.6646 ± 0.0005 Å
• c: 12.7092 ± 0.0005 Å
• α: 85.944 ± 0.001°
• β: 86.346 ± 0.001°
• γ: 68.446 ± 0.001°
• Cell volume: 1711.6 ± 0.11 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.08
• Residual factor for significantly intense reflections: 0.0579
• Weighted residual factors for significantly intense reflections: 0.1392
• Weighted residual factors for all reflections included in the refinement: 0.1479
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No