Information card for entry 4113544

Structure parameters

• Formula: C15 H17 Br O3 S
• Calculated formula: C15 H17 Br O3 S
• SMILES: Br[C@@]12CCC(=O)[C@@]2(S(=O)(=O)c2c(cc(cc2C)C)C)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: 5.9304 ± 0.0003 Å
• b: 16.493 ± 0.001 Å
• c: 14.995 ± 0.001 Å
• α: 90°
• β: 89.053 ± 0.003°
• γ: 90°
• Cell volume: 1466.46 ± 0.15 ų
• Cell temperature: 93.1 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for all reflections included in the refinement: 0.099
• Goodness-of-fit parameter for all reflections included in the refinement: 1.307
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No