Information card for entry 7160555

Structure parameters

• Formula: C92 H104 N2 O27 S4
• Calculated formula: C92 H104 N2 O27 S4
• 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: 10.8947 ± 0.0007 Å
• b: 15.2408 ± 0.0009 Å
• c: 27.3806 ± 0.0016 Å
• α: 81.262 ± 0.004°
• β: 85.221 ± 0.004°
• γ: 81.397 ± 0.004°
• Cell volume: 4434.5 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.1098
• Residual factor for significantly intense reflections: 0.0884
• Weighted residual factors for significantly intense reflections: 0.2286
• Weighted residual factors for all reflections included in the refinement: 0.2512
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No