Information card for entry 1576483

Structure parameters

• Formula: C5 H7 F I N O3 S
• Calculated formula: C5 H7 F I N O3 S
• Title of publication: Se-catalyzed enantioselective lactamization enabled by a <i>N</i>-fluorosulfonyl group: total synthesis of diaporisoindole A.
• Authors of publication: Yamamoto, Daiki; Yamasaki, Shun; Hashimoto, Takuya
• Journal of publication: Chemical science
• Year of publication: 2026
• Journal volume: 17
• Journal issue: 6
• Pages of publication: 3313 - 3319
• a: 14.3378 ± 0.0005 Å
• b: 5.8654 ± 0.0002 Å
• c: 21.9011 ± 0.0008 Å
• α: 90°
• β: 105.905 ± 0.004°
• γ: 90°
• Cell volume: 1771.31 ± 0.11 ų
• Cell temperature: 169.99 ± 0.1 K
• Ambient diffraction temperature: 169.99 ± 0.1 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0342
• Residual factor for significantly intense reflections: 0.0321
• Weighted residual factors for significantly intense reflections: 0.0833
• Weighted residual factors for all reflections included in the refinement: 0.085
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No