Information card for entry 1506058

Structure parameters

• Formula: C37 H41 N O2 Sn
• Calculated formula: C37 H41 N O2 Sn
• SMILES: [Sn]([C@H](/C=C(OC(=O)N(C(C)C)C(C)C)/C=C/c1ccccc1)C)(c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Asymmetric gamma-deprotonation and homoaldol reaction of 1,3-dien-2-yl carbamates: stereo- and regiochemistry.
• Authors of publication: Chedid, Roland Bou; Fröhlich, Roland; Hoppe, Dieter
• Journal of publication: Organic letters
• Year of publication: 2006
• Journal volume: 8
• Journal issue: 14
• Pages of publication: 3061 - 3064
• a: 11.065 ± 0.001 Å
• b: 13.713 ± 0.001 Å
• c: 11.397 ± 0.001 Å
• α: 90°
• β: 103.09 ± 0.01°
• γ: 90°
• Cell volume: 1684.4 ± 0.3 ų
• Cell temperature: 198 ± 2 K
• Ambient diffraction temperature: 198 ± 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: 0.0258
• Residual factor for significantly intense reflections: 0.0236
• Weighted residual factors for significantly intense reflections: 0.0544
• Weighted residual factors for all reflections included in the refinement: 0.0557
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No