Information card for entry 7135115

Structure parameters

• Formula: C31.5 H26 N2 O2 S2 Se2
• Calculated formula: C28 H18 N2 O2 S2 Se2
• 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: 6.2952 ± 0.0003 Å
• b: 11.3991 ± 0.0006 Å
• c: 20.6848 ± 0.0011 Å
• α: 104.048 ± 0.003°
• β: 91.718 ± 0.003°
• γ: 99.82 ± 0.003°
• Cell volume: 1414.88 ± 0.13 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0512
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for significantly intense reflections: 0.0801
• Weighted residual factors for all reflections included in the refinement: 0.089
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No