Information card for entry 4326184

Structure parameters

• Common name: (3R,4S,5R,9S,10R)-1,1-dibromido-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: C22 H33 Br N2 O2
• Calculated formula: C22 H33 Br N2 O2
• SMILES: [Br-].[C@H]([C@H](C)[NH+](CCN(C)[C@@H](C)[C@H](O)c1ccccc1)C)(c1ccccc1)O
• Title of publication: Intramolecular N→Sn 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: 7.6385 ± 0.0005 Å
• b: 10.3591 ± 0.001 Å
• c: 14.0457 ± 0.0014 Å
• α: 90°
• β: 98.715 ± 0.008°
• γ: 90°
• Cell volume: 1098.58 ± 0.17 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: 0.0727
• Residual factor for significantly intense reflections: 0.0358
• Weighted residual factors for significantly intense reflections: 0.044
• Weighted residual factors for all reflections included in the refinement: 0.0469
• Goodness-of-fit parameter for all reflections included in the refinement: 0.689
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No