Information card for entry 7107938

Structure parameters

• Formula: C33 H48 Cl N O4 S Sn
• Calculated formula: C33 H48 Cl N O4 S Sn
• SMILES: [Sn](Cl)(C[C@@]1([C@@H](N(S(=O)(=O)c2ccc(cc2)C)CC1=C)c1ccc(C)cc1)C(=O)OC(C)(C)C)(CCCC)CCCC
• Title of publication: Unexpected formation of stannolanes and trigonal bipyramidal tin complexes by radical cyclization reaction
• Authors of publication: Akio Kamimura; Shingo Ishikawa; Fumiaki Noguchi; Takaaki Moriyama; Masahiro So; Toshihiro Murafuji; Hidemitsu Uno
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 6592
• a: 9.403 ± 0.0003 Å
• b: 10.4777 ± 0.0004 Å
• c: 36.3472 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3581 ± 0.2 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 7
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for significantly intense reflections: 0.0308
• Weighted residual factors for all reflections included in the refinement: 0.0812
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No