Information card for entry 7135482

Structure parameters

• Formula: C20 H36 N6 O14 S3
• Calculated formula: C20 H36 N6 O14 S3
• Title of publication: Acid-catalyzed esterification and biotin/fluorescent labeling of glutathione polysulfides based on stability under heating and pH change.
• Authors of publication: Yazaki, Masana; Zhang, Yaozhuo; Zhou, Lin; Morise, Ryo; Akaike, Takaaki; Arisawa, Mieko
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2026
• Journal volume: 62
• Journal issue: 8
• Pages of publication: 2668 - 2671
• a: 5.34785 ± 0.00012 Å
• b: 9.40623 ± 0.00018 Å
• c: 14.69319 ± 0.0002 Å
• α: 83.7804 ± 0.0013°
• β: 88.77 ± 0.0014°
• γ: 89.4031 ± 0.0017°
• Cell volume: 734.57 ± 0.02 ų
• Cell temperature: 99.99 ± 0.1 K
• Ambient diffraction temperature: 99.99 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0341
• Residual factor for significantly intense reflections: 0.0326
• Weighted residual factors for significantly intense reflections: 0.082
• Weighted residual factors for all reflections included in the refinement: 0.0829
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No