Information card for entry 7152325

Structure parameters

• Common name: CMN103F2
• Chemical name: (2S,4S,5R)-3,4-Dimethyl-2-(α-(SFc)-trimethylsylanylferrocenyl)-5- phenyl-[1,3,2]oxazaphospholidine-2-oxide
• Formula: C23 H30 Fe N O2 P Si
• Calculated formula: C23 H30 Fe N O2 P Si
• SMILES: [Fe]12345678([c]9([cH]2[cH]4[cH]5[c]19[P@]1(=O)O[C@@H]([C@@H](N1C)C)c1ccccc1)[Si](C)(C)C)[cH]1[cH]3[cH]6[cH]7[cH]81
• Title of publication: Another side of the oxazaphospholidine oxide chiral ortho-directing group
• Authors of publication: Martins, Nelson; Mateus, Nuno; Vinci, Daniele; Saidi, Ourida; Brigas, Amadeu; Bacsa, John; Xiao, Jianliang
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2012
• Journal volume: 10
• Journal issue: 20
• Pages of publication: 4036
• a: 10 ± 0.0007 Å
• b: 11.073 ± 0.0007 Å
• c: 10.832 ± 0.002 Å
• α: 90°
• β: 109.495 ± 0.01°
• γ: 90°
• Cell volume: 1130.7 ± 0.2 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0383
• Residual factor for significantly intense reflections: 0.0353
• Weighted residual factors for significantly intense reflections: 0.0727
• Weighted residual factors for all reflections included in the refinement: 0.0739
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No