Information card for entry 4107331

Structure parameters

• Formula: C28 H36 N2 O5 S Si
• Calculated formula: C28 H36 N2 O5 S Si
• SMILES: S(=O)(=O)(N1C=C[C@H]2[C@@H](c3ccccc3)C=C(O[Si](C(C)C)(C(C)C)C(C)C)[C@@H]12)c1ccc(N(=O)=O)cc1.S(=O)(=O)(N1C=C[C@@H]2[C@H](c3ccccc3)C=C(O[Si](C(C)C)(C(C)C)C(C)C)[C@H]12)c1ccc(N(=O)=O)cc1
• Title of publication: Efficient Control of π-Alkyne and Vinylidene Complex Pathways for the W(CO)5(L)-Catalyzed Synthesis of Two Types of Nitrogen-Containing Bicyclic Compounds
• Authors of publication: Yuji Onizawa; Hiroyuki Kusama; Nobuharu Iwasawa
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2008
• Journal volume: 130
• Pages of publication: 802 - 803
• a: 10.51 ± 0.011 Å
• b: 25.71 ± 0.03 Å
• c: 11.552 ± 0.017 Å
• α: 90°
• β: 114.11 ± 0.05°
• γ: 90°
• Cell volume: 2849 ± 6 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0576
• Residual factor for significantly intense reflections: 0.0485
• Weighted residual factors for significantly intense reflections: 0.1644
• Weighted residual factors for all reflections included in the refinement: 0.1731
• Goodness-of-fit parameter for all reflections included in the refinement: 1.327
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No