Information card for entry 4104868

Structure parameters

• Formula: C13 H19 N3 O3 S
• Calculated formula: C13 H19 N3 O3 S
• SMILES: S1(=O)(=O)N(C(=O)C(=N#N)C)[C@H]2[C@@]3(C1)C([C@H](CC3)C2)(C)C
• Title of publication: Stereoselective Synthesis of α-Alkyl-β-keto Imides via Asymmetric Redox C-C Bond Formation between α-Alkyl-α-diazocarbonyl Compounds and Aldehydes
• Authors of publication: Takuya Hashimoto; Hisashi Miyamoto; Yuki Naganawa; Keiji Maruoka
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2009
• Journal volume: 131
• Pages of publication: 11280 - 11281
• a: 6.5841 ± 0.00012 Å
• b: 11.814 ± 0.0002 Å
• c: 18.4736 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1436.96 ± 0.04 ų
• Cell temperature: 123.1 K
• Number of distinct elements: 5
• 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: 0.0813
• Goodness-of-fit parameter for all reflections included in the refinement: 1.16
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No