Information card for entry 7160558

Structure parameters

• Formula: C15 H22 O9 S2
• Calculated formula: C15 H22 O9 S2
• Title of publication: Photoinitiated thiol-ene mediated functionalisation of 4,5-enoses.
• Authors of publication: Prieto-Castañeda, Alejandro; Martin, Harlei; Manna, Tapasi; Beswick, Laura; McLean, Joshua T.; Pongener, Imlirenla; González, Inés Rabadán; Twamley, Brendan; Miller, Gavin J.; Scanlan, Eoin M.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2025
• Journal volume: 23
• Journal issue: 22
• Pages of publication: 5332 - 5338
• a: 11.1283 ± 0.0003 Å
• b: 7.6491 ± 0.0002 Å
• c: 11.5435 ± 0.0003 Å
• α: 90°
• β: 92.8088 ± 0.0014°
• γ: 90°
• Cell volume: 981.42 ± 0.04 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0671
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for significantly intense reflections: 0.0982
• Weighted residual factors for all reflections included in the refinement: 0.108
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Diffraction radiation X-ray symbol: K-L~3~
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No