Information card for entry 4113543

Structure parameters

• Formula: C26 H31 Br N O4 S
• Calculated formula: C26 H31 Br N O4 S
• SMILES: Brc1ccc(C(=O)ON=C2[C@@]3(S(=O)(=O)c4c(cc(cc4C)C)C)C[C@@]3(C)CC2)cc1.CCCCCC
• 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: 27.53 ± 0.003 Å
• b: 12.791 ± 0.001 Å
• c: 7.2049 ± 0.0006 Å
• α: 90°
• β: 95.019 ± 0.002°
• γ: 90°
• Cell volume: 2527.4 ± 0.4 ų
• Cell temperature: 93.1 K
• Number of distinct elements: 6
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for all reflections included in the refinement: 0.085
• Goodness-of-fit parameter for all reflections included in the refinement: 1.219
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No