Information card for entry 1566165

Structure parameters

• Chemical name: 2-[(2R)-1-methylpyrrolidin-2-yl]- (3S)-trimethylsilyl-(1R)-ferrocenyldiphenylphosphine
• Formula: C30 H36 Fe N P Si
• Calculated formula: C30 H36 Fe N P Si
• SMILES: [C@@H]1(CCCN1C)[c]12[c]3([cH]4[cH]5[c]1([Fe]16782345[cH]2[cH]1[cH]6[cH]7[cH]82)[Si](C)(C)C)P(c1ccccc1)c1ccccc1
• Title of publication: The preparation of ferrocene-containing phosphinamine ligands possessing central and planar chirality and their application in palladium-catalysed allylic substitution
• Authors of publication: Meaney, Keith; Goddard, Richard; Bronger, Raymond P.J.; Guiry, Patrick J.
• Journal of publication: Tetrahedron
• Year of publication: 2021
• Journal volume: 90
• Pages of publication: 132088
• a: 7.2344 ± 0.0001 Å
• b: 17.3214 ± 0.0003 Å
• c: 22.1734 ± 0.0005 Å
• α: 90°
• β: 98.564 ± 0.001°
• γ: 90°
• Cell volume: 2747.57 ± 0.09 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.139
• Residual factor for significantly intense reflections: 0.0791
• Weighted residual factors for significantly intense reflections: 0.1276
• Weighted residual factors for all reflections included in the refinement: 0.1506
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No