Information card for entry 7155559

Structure parameters

• Formula: C24 H26 O8 S2
• Calculated formula: C24 H26 O8 S2
• SMILES: S(=O)(=O)(c1c(S(=O)(=O)/C=C/C=C/C=C/C(=O)OCC)cccc1)/C=C/C=C/C=C/C(=O)OCC
• Title of publication: Photochemical Studies on Bis-Sulfide and -Sulfone Tethered Polyenic Derivatives
• Authors of publication: Fensterbank, Louis; Guelen, Simon; Blazejak, Max; Chamoreau, Lise-Marie; Arnaud, Huguet; Derenne, Sylvie; Volatron, Francois; Mansuy, Virgine
• Journal of publication: Org. Biomol. Chem.
• Year of publication: 2017
• a: 7.2168 ± 0.0002 Å
• b: 16.2188 ± 0.0004 Å
• c: 25.3953 ± 0.0006 Å
• α: 100.65 ± 0.001°
• β: 92.438 ± 0.001°
• γ: 101.714 ± 0.001°
• Cell volume: 2850.51 ± 0.13 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0993
• Residual factor for significantly intense reflections: 0.055
• Weighted residual factors for significantly intense reflections: 0.1696
• Weighted residual factors for all reflections included in the refinement: 0.2064
• Goodness-of-fit parameter for all reflections included in the refinement: 0.812
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No