Information card for entry 4069613

Structure parameters

• Formula: C14 H20 B Cl Fe O Sn
• Calculated formula: C14 H20 B Cl Fe O Sn
• SMILES: B([c]12[c]3([Fe]4567891([cH]2[cH]4[cH]35)[cH]1[cH]9[cH]8[cH]7[cH]61)[Sn](Cl)(C)C)(OC)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: 6.9133 ± 0.0003 Å
• b: 7.5935 ± 0.0004 Å
• c: 15.3049 ± 0.0006 Å
• α: 87.068 ± 0.002°
• β: 84.163 ± 0.002°
• γ: 79.022 ± 0.003°
• Cell volume: 784.24 ± 0.06 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0256
• Residual factor for significantly intense reflections: 0.0249
• Weighted residual factors for significantly intense reflections: 0.0644
• Weighted residual factors for all reflections included in the refinement: 0.0649
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No