Information card for entry 7131652

Structure parameters

• Formula: C54 H52 N4 O6 S2
• Calculated formula: C54 H52 N4 O6 S2
• Title of publication: The emission efficiency of cationic solid state luminophores is directly proportional to the intermolecular charge transfer intensity.
• Authors of publication: Leduskrasts, Kaspars; Kinens, Artis; Suna, Edgars
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2023
• Journal volume: 59
• Journal issue: 45
• Pages of publication: 6905 - 6908
• a: 13.3101 ± 0.0003 Å
• b: 13.4723 ± 0.0005 Å
• c: 13.9252 ± 0.0003 Å
• α: 101.733 ± 0.003°
• β: 102.111 ± 0.002°
• γ: 100.527 ± 0.003°
• Cell volume: 2323.26 ± 0.12 ų
• Cell temperature: 150 ± 0.4 K
• Ambient diffraction temperature: 150 ± 0.4 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1028
• Residual factor for significantly intense reflections: 0.0937
• Weighted residual factors for significantly intense reflections: 0.285
• Weighted residual factors for all reflections included in the refinement: 0.2908
• Goodness-of-fit parameter for all reflections included in the refinement: 1.102
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No