Information card for entry 4113546

Structure parameters

• Formula: C23 H22 N2 O9 S
• Calculated formula: C23 H22 N2 O9 S
• SMILES: S(=O)(=O)(c1c(C)cc(cc1C)C)[C@@]12[C@@](CCC2=O)(COC(=O)c2cc(N(=O)=O)cc(N(=O)=O)c2)C1
• Title of publication: Asymmetric Catalysis on the Intramolecular Cyclopropanation of α-Diazo-β-keto Sulfones
• Authors of publication: Masahiro Honma; Takashi Sawada; Yuri Fujisawa; Masayuki Utsugi; Hideaki Watanabe; Akinori Umino; Takehiko Matsumura; Takayuki Hagihara; Masashi Takano; Masahisa Nakada
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2003
• Journal volume: 125
• Pages of publication: 2860 - 2861
• a: 7.869 ± 0.002 Å
• b: 15.702 ± 0.003 Å
• c: 18.622 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2300.9 ± 0.8 ų
• Cell temperature: 93.1 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: 0.034
• Weighted residual factors for all reflections included in the refinement: 0.073
• Goodness-of-fit parameter for all reflections included in the refinement: 1.105
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No