Information card for entry 7127949

Structure parameters

• Formula: C171 H233 N O8 S
• Calculated formula: C143 H165 N O4 S
• Title of publication: Isolable small-molecule cysteine sulfenic acid.
• Authors of publication: Sano, Tsukasa; Masuda, Ryosuke; Sase, Shohei; Goto, Kei
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2021
• Journal volume: 57
• Journal issue: 20
• Pages of publication: 2479 - 2482
• a: 13.461 ± 0.002 Å
• b: 27.545 ± 0.004 Å
• c: 42.227 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 15657 ± 4 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1403
• Residual factor for significantly intense reflections: 0.0765
• Weighted residual factors for significantly intense reflections: 0.145
• Weighted residual factors for all reflections included in the refinement: 0.1705
• Goodness-of-fit parameter for all reflections included in the refinement: 0.995
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No