Information card for entry 7711984

Structure parameters

• Formula: C25 H42 B P
• Calculated formula: C25 H42 B P
• SMILES: [P]1(Cc2c(cccc2)[B]1(C1CCCCC1)C1CCCCC1)(C(C)C)C(C)C
• Title of publication: Frustrated Lewis pair-ligated tetrelenes.
• Authors of publication: Omaña, Alvaro A; Frenette, Brandon L.; Dornsiepen, Eike; Kobayashi, Ryo; Ferguson, Michael J.; Iwamoto, Takeaki; Rivard, Eric
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2023
• Journal volume: 52
• Journal issue: 3
• Pages of publication: 774 - 786
• a: 10.7112 ± 0.0004 Å
• b: 11.6101 ± 0.0004 Å
• c: 18.4751 ± 0.0006 Å
• α: 90°
• β: 90.838 ± 0.001°
• γ: 90°
• Cell volume: 2297.28 ± 0.14 ų
• Cell temperature: 173.15 K
• Ambient diffraction temperature: 173.15 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.05
• Residual factor for significantly intense reflections: 0.0377
• Weighted residual factors for significantly intense reflections: 0.0927
• Weighted residual factors for all reflections included in the refinement: 0.0997
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No