Information card for entry 7135112

Structure parameters

• Formula: C28 H18 N2 O4 S2
• Calculated formula: C28 H18 N2 O4 S2
• Title of publication: Tuneable phosphorescence and singlet oxygen production of bridged ethers <i>via</i> chalcogen variation and photocyclisation.
• Authors of publication: Schmiedtchen, Marco; Thulaseedharan Nair Sailaja, Sidharth; Lorberg, Rick Y.; Wölper, Christoph; Galstyan, Anzhela; Voskuhl, Jens
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2025
• Journal volume: 61
• Journal issue: 95
• Pages of publication: 18810 - 18813
• a: 11.6031 ± 0.0012 Å
• b: 16.6534 ± 0.0017 Å
• c: 12.2098 ± 0.0013 Å
• α: 90°
• β: 96.077 ± 0.003°
• γ: 90°
• Cell volume: 2346.1 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0456
• Residual factor for significantly intense reflections: 0.0351
• Weighted residual factors for significantly intense reflections: 0.0909
• Weighted residual factors for all reflections included in the refinement: 0.0989
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No