Information card for entry 4069616

Structure parameters

• Formula: C25 H35 B Cl3 Fe N O Sn
• Calculated formula: C25 H35 B Cl3 Fe N O Sn
• SMILES: [B@@]12([N](C)(C)[C@@H](C)[C@@H]([O]1[Sn]([c]13[Fe]456789%10([c]21[cH]4[cH]5[cH]36)[cH]1[cH]%10[cH]9[cH]8[cH]71)(Cl)(C)C)c1ccccc1)C.ClCCl
• Title of publication: Resolution of Planar-Chiral Ferrocenylborane Lewis Acids: The Impact of Steric Effects on the Stereoselective Binding of Ephedrine Derivatives
• Authors of publication: Boshra, Ramez; Venkatasubbaiah, Krishnan; Doshi, Ami; Jäkle, Frieder
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 14
• Pages of publication: 4141
• a: 8.3731 ± 0.0003 Å
• b: 18.8436 ± 0.0006 Å
• c: 8.9477 ± 0.0003 Å
• α: 90°
• β: 104.492 ± 0.001°
• γ: 90°
• Cell volume: 1366.84 ± 0.08 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0242
• Residual factor for significantly intense reflections: 0.0239
• Weighted residual factors for significantly intense reflections: 0.0528
• Weighted residual factors for all reflections included in the refinement: 0.0529
• Goodness-of-fit parameter for all reflections included in the refinement: 1.111
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No