Information card for entry 1560112

Structure parameters

• Formula: C37 H32 O5 P2 Si2 W
• Calculated formula: C37 H32 O5 P2 Si2 W
• SMILES: [W](C#[O])(C#[O])(C#[O])(C#[O])(C#[O])[P]12c3c(cccc3C=C([Si](C)(C)c3ccccc3)P2c2ccccc2)C=C1[Si](C)(C)c1ccccc1
• 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: 10.6448 ± 0.0013 Å
• b: 12.9069 ± 0.0016 Å
• c: 26.22 ± 0.003 Å
• α: 90°
• β: 92.664 ± 0.004°
• γ: 90°
• Cell volume: 3598.5 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0322
• Residual factor for significantly intense reflections: 0.0253
• Weighted residual factors for significantly intense reflections: 0.0554
• Weighted residual factors for all reflections included in the refinement: 0.0575
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No