Information card for entry 4069615

Structure parameters

• Formula: C23 H31 B Cl Fe N O Sn
• Calculated formula: C23 H31 B Cl Fe N O Sn
• SMILES: [B@@]12([NH](C)[C@@H](C)[C@@H]([O]1[Sn]([c]13[cH]4[Fe]56789%101([c]23[cH]5[cH]46)[cH]1[cH]%10[cH]9[cH]8[cH]71)(Cl)(C)C)c1ccccc1)C
• 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: 12.967 ± 0.0002 Å
• b: 13.1525 ± 0.0002 Å
• c: 13.737 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2342.82 ± 0.06 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0175
• Residual factor for significantly intense reflections: 0.0171
• Weighted residual factors for significantly intense reflections: 0.04
• Weighted residual factors for all reflections included in the refinement: 0.0401
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No