Information card for entry 4107332

Structure parameters

• Formula: C15 H19 N O4 S
• Calculated formula: C15 H19 N O4 S
• SMILES: S(=O)(=O)(N1[C@H](OC)[C@H]2C(=O)C[C@H]([C@H]2C1)c1ccccc1)C.S(=O)(=O)(N1[C@@H](OC)[C@@H]2C(=O)C[C@@H]([C@@H]2C1)c1ccccc1)C
• 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: 7.9221 ± 0.0002 Å
• b: 30.679 ± 0.0007 Å
• c: 6.319 ± 0.0002 Å
• α: 90°
• β: 100.367 ± 0.002°
• γ: 90°
• Cell volume: 1510.71 ± 0.07 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• 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: 0.0451
• Residual factor for significantly intense reflections: 0.0424
• Weighted residual factors for significantly intense reflections: 0.1088
• Weighted residual factors for all reflections included in the refinement: 0.1112
• Goodness-of-fit parameter for all reflections included in the refinement: 1.131
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No