Information card for entry 7102344

Structure parameters

• Formula: C32 H37 N3 O4 S Sn
• Calculated formula: C32 H37 N3 O4 S Sn
• SMILES: [Sn](C(=C)[C@H]1[C@@H](NN2C(=O)c3c(C2=O)cccc3)CN(S(=O)(=O)c2ccc(cc2)C)[C@@H]1CCc1ccccc1)(C)(C)C.[Sn](C(=C)[C@@H]1[C@H](NN2C(=O)c3c(C2=O)cccc3)CN(S(=O)(=O)c2ccc(cc2)C)[C@H]1CCc1ccccc1)(C)(C)C
• Title of publication: A diastereoselective carbocyclisation of allene-hydrazones through the intramolecular allylic transfer reaction.
• Authors of publication: Kim, Sang-Hoon; Oh, Seung-Ju; Kim, Yurim; Yu, Chan-Mo
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2007
• Journal issue: 47
• Pages of publication: 5025 - 5027
• a: 21.858 ± 0.005 Å
• b: 12.108 ± 0.003 Å
• c: 24.59 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6508 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.2761
• Residual factor for significantly intense reflections: 0.0916
• Weighted residual factors for significantly intense reflections: 0.1749
• Weighted residual factors for all reflections included in the refinement: 0.2509
• Goodness-of-fit parameter for all reflections included in the refinement: 0.959
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No