Information card for entry 4081541

Structure parameters

• Chemical name: (3aR,7aR)-[(RFc)-(2-Monoiodidodiphenylstannyl)ferrocenyl]- (3a,4,5,6,7,7a-octahydro-1,3-dimethyl-1,3,2-benzodiaza-phosphol)-2-oxid
• Formula: C30 H34 Fe I N2 O P Sn
• Calculated formula: C30 H34 Fe I N2 O P Sn
• SMILES: [Sn]1(I)([O]=P2([c]34[cH]5[Fe]6789%10%113([c]14[cH]7[cH]56)[cH]1[cH]8[cH]9[cH]%10[cH]%111)N([C@H]1[C@H](N2C)CCCC1)C)(c1ccccc1)c1ccccc1
• Title of publication: Diastereoselectiveortho-Metalation of a Chiral Ferrocenylphosphonic Diamide and Its Organotin Derivatives
• Authors of publication: Dietz, Christina; Jouikov, Viatcheslav; Jurkschat, Klaus
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 20
• Pages of publication: 5906
• a: 11.4229 ± 0.0006 Å
• b: 8.4617 ± 0.0004 Å
• c: 15.34 ± 0.0007 Å
• α: 90°
• β: 91.483 ± 0.004°
• γ: 90°
• Cell volume: 1482.22 ± 0.12 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 8
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0454
• Residual factor for significantly intense reflections: 0.0334
• Weighted residual factors for significantly intense reflections: 0.0545
• Weighted residual factors for all reflections included in the refinement: 0.0558
• Goodness-of-fit parameter for all reflections included in the refinement: 0.847
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No