Information card for entry 4326185

Structure parameters

• Common name: (3R,4S,5R,8S,9S,10R)-3,10-Diphenyl-4,5,8,9-tetramethyl- (5,8-diaza-2,11-dioxa-1-stanna(II)tricyclo[3.2.3.0^1,5^.0^1,8^]undecane)
• Formula: C28 H36 N2 O2 Sn
• Calculated formula: C28 H36 N2 O2 Sn
• SMILES: [Sn]123O[C@@H]([C@@H]([N]1(C)CC[N]2(C)[C@H]([C@H](O3)c1ccccc1)C)C)c1ccccc1.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: 7.0576 ± 0.0003 Å
• b: 17.9392 ± 0.0006 Å
• c: 10.6368 ± 0.0004 Å
• α: 90°
• β: 101.899 ± 0.004°
• γ: 90°
• Cell volume: 1317.76 ± 0.09 ų
• Cell temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0213
• Residual factor for significantly intense reflections: 0.0197
• Weighted residual factors for significantly intense reflections: 0.0472
• Weighted residual factors for all reflections included in the refinement: 0.0475
• Goodness-of-fit parameter for all reflections included in the refinement: 0.989
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No