Information card for entry 4113541

Structure parameters

• Formula: C12 H12 O3 S
• Calculated formula: C12 H12 O3 S
• SMILES: S(=O)(=O)([C@@]12[C@@H](C1)CCC2=O)c1ccccc1
• 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: 6.2833 ± 0.0005 Å
• b: 9.722 ± 0.001 Å
• c: 17.974 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1097.96 ± 0.19 ų
• Cell temperature: 93.1 K
• Number of distinct elements: 4
• 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: 0.028
• Weighted residual factors for all reflections included in the refinement: 0.082
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No