Information card for entry 1562851

Structure parameters

• Formula: C48 H52 O P2
• Calculated formula: C48 H52 O P2
• SMILES: P(c1c(Oc2c(P(c3c(C(C)C)cccc3)c3c(C(C)C)cccc3)cccc2)cccc1)(c1ccccc1C(C)C)c1ccccc1C(C)C
• Title of publication: Ortho-aryl substituted DPEphos ligands: Rhodium Complexes Featuring C‒H Anagostic Interactions and B‒H Agostic Bonds.
• Authors of publication: Race, James; Burnage, Arron; Boyd, Timothy M.; Heyam, Alex; Martinez-Martinez, Antonio J.; Macgregor, Stuart Alan; Weller, Andrew S.
• Journal of publication: Chemical Science
• Year of publication: 2021
• a: 8.3692 ± 0.0005 Å
• b: 13.6847 ± 0.0009 Å
• c: 18.8298 ± 0.0008 Å
• α: 105.445 ± 0.005°
• β: 99.637 ± 0.004°
• γ: 99.462 ± 0.005°
• Cell volume: 1999.2 ± 0.2 ų
• Cell temperature: 110 ± 0.1 K
• Ambient diffraction temperature: 110 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0846
• Residual factor for significantly intense reflections: 0.0537
• Weighted residual factors for significantly intense reflections: 0.1252
• Weighted residual factors for all reflections included in the refinement: 0.1449
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No