Information card for entry 7061288

Structure parameters

• Formula: C53 H70 Cl O5 P2 Rh
• Calculated formula: C53 H70 Cl O5 P2 Rh
• SMILES: [Rh](Cl)([P](c1c(c2c(OC)cccc2OC)cccc1)(C1CCCCC1)C1CCCCC1)([P](c1ccccc1c1c(OC)cccc1OC)(C1CCCCC1)C1CCCCC1)C#[O]
• Title of publication: Exploring steric and electronic parameters of biaryl phosphacycles
• Authors of publication: Lamola, Jairus L.; Adeyinka, Adedapo S.; Malan, Frederick P.; Moshapo, Paseka T.; Holzapfel, Cedric W.; Maumela, Munaka Christopher
• Journal of publication: New Journal of Chemistry
• Year of publication: 2022
• Journal volume: 46
• Journal issue: 10
• Pages of publication: 4677 - 4686
• a: 12.087 ± 0.0001 Å
• b: 14.5363 ± 0.0002 Å
• c: 15.7989 ± 0.0002 Å
• α: 63.576 ± 0.001°
• β: 86.782 ± 0.001°
• γ: 84.952 ± 0.001°
• Cell volume: 2475.77 ± 0.06 ų
• Cell temperature: 149.99 ± 0.1 K
• Ambient diffraction temperature: 149.99 ± 0.1 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: 0.0274
• Residual factor for significantly intense reflections: 0.0265
• Weighted residual factors for significantly intense reflections: 0.0685
• Weighted residual factors for all reflections included in the refinement: 0.0691
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No