Information card for entry 7061281

Structure parameters

• Formula: C51 H64 Cl O7 P2 Rh
• Calculated formula: C51 H64 Cl O7 P2 Rh
• SMILES: [Rh](Cl)([P]1([C@@]2(O[C@]3(O[C@](O[C@@]1(C3)C)(C2)C)C)C)c1ccccc1c1ccccc1)([P]1([C@]2(O[C@@]3(O[C@@](O[C@]1(C3)C)(C2)C)C)C)c1ccccc1c1ccccc1)C#[O].C(CC)CCC
• 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: 12.133 ± 0.0002 Å
• b: 12.3022 ± 0.0002 Å
• c: 16.7869 ± 0.0003 Å
• α: 81.197 ± 0.001°
• β: 87.715 ± 0.001°
• γ: 72.921 ± 0.002°
• Cell volume: 2366.91 ± 0.07 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 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: 0.0461
• Residual factor for significantly intense reflections: 0.0417
• Weighted residual factors for significantly intense reflections: 0.1006
• Weighted residual factors for all reflections included in the refinement: 0.1024
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No