Information card for entry 7243350

Structure parameters

• Formula: C22 H25 O3 P
• Calculated formula: C22 H25 O3 P
• SMILES: P1(c2c(cccc2)c2ccccc2)[C@@]2(C)O[C@]3(C)O[C@@](O[C@]1(C3)C)(C2)C.P1(c2c(cccc2)c2ccccc2)[C@]2(C)O[C@@]3(C)O[C@](O[C@@]1(C3)C)(C2)C
• Title of publication: Evaluation of P-bridged biaryl phosphine ligands in palladium-catalysed Suzuki–Miyaura cross-coupling reactions
• Authors of publication: Lamola, Jairus L.; Moshapo, Paseka T.; Holzapfel, Cedric W.; Maumela, Munaka Christopher
• Journal of publication: RSC Advances
• Year of publication: 2021
• Journal volume: 11
• Journal issue: 43
• Pages of publication: 26883 - 26891
• a: 8.0873 ± 0.0007 Å
• b: 9.4963 ± 0.0009 Å
• c: 13.1468 ± 0.0012 Å
• α: 92.553 ± 0.004°
• β: 105.035 ± 0.004°
• γ: 95.537 ± 0.004°
• Cell volume: 968.01 ± 0.15 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0624
• Residual factor for significantly intense reflections: 0.0446
• Weighted residual factors for significantly intense reflections: 0.1056
• Weighted residual factors for all reflections included in the refinement: 0.1138
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No