Information card for entry 7237440

Structure parameters

• Formula: C38 H26 N2 S3
• Calculated formula: C38 H26 N2 S3
• Title of publication: The influence of molecular conformation on the photophysics of organic room temperature phosphorescent luminophores
• Authors of publication: Huang, Rongjuan; Ward, Jonathan S.; Kukhta, Nadzeya A.; Avó, João; Gibson, Jamie; Penfold, Thomas; Lima, João C.; Batsanov, Andrei S.; Berberan-Santos, Mário N.; Bryce, Martin R.; Dias, Fernando B.
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2018
• Journal volume: 6
• Journal issue: 34
• Pages of publication: 9238
• a: 7.9477 ± 0.0004 Å
• b: 11.9549 ± 0.0007 Å
• c: 15.9521 ± 0.0009 Å
• α: 91.458 ± 0.002°
• β: 95.161 ± 0.002°
• γ: 92.542 ± 0.002°
• Cell volume: 1507.38 ± 0.14 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 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: 0.0703
• Residual factor for significantly intense reflections: 0.0469
• Weighted residual factors for significantly intense reflections: 0.109
• Weighted residual factors for all reflections included in the refinement: 0.1176
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No