Information card for entry 4326183

Structure parameters

• Common name: N,N'-ethylenebis-(1R,2S)-ephedrine
• Formula: C22 H32 N2 O2
• Calculated formula: C22 H32 N2 O2
• SMILES: O[C@@H]([C@@H](N(C)CCN(C)[C@H]([C@H](O)c1ccccc1)C)C)c1ccccc1
• Title of publication: Intramolecular N\ρightarrowSn Coordination in Tin(II) and Tin(IV) Compounds Based on Enantiopure Ephedrine Derivatives
• Authors of publication: Thomas Zöller; Ljuba Iovkova-Berends; Thorsten Berends; Christina Dietz; Gerrit Bradtmöller; Klaus Jurkschat
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 8645 - 8653
• a: 7.0717 ± 0.0002 Å
• b: 13.6182 ± 0.0004 Å
• c: 21.1941 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2041.07 ± 0.11 ų
• Cell temperature: 173 ± 2 K
• Number of distinct elements: 4
• 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: 0.0404
• Residual factor for significantly intense reflections: 0.0297
• Weighted residual factors for significantly intense reflections: 0.0607
• Weighted residual factors for all reflections included in the refinement: 0.0623
• Goodness-of-fit parameter for all reflections included in the refinement: 0.91
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No