Information card for entry 4113548

Structure parameters

• Formula: C19 H22 O3 S
• Calculated formula: C19 H22 O3 S
• SMILES: S(=O)(=O)([C@]12[C@@H]3CC=C[C@@](CC1=O)(C)[C@H]23)c1c(cc(C)cc1C)C
• 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: 8.022 ± 0.003 Å
• b: 8.91 ± 0.004 Å
• c: 13.138 ± 0.005 Å
• α: 80.19 ± 0.04°
• β: 79.47 ± 0.03°
• γ: 69.01 ± 0.03°
• Cell volume: 856.3 ± 0.6 ų
• Cell temperature: 296.1 K
• Number of distinct elements: 4
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for all reflections included in the refinement: 0.125
• Goodness-of-fit parameter for all reflections included in the refinement: 1.349
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No