Information card for entry 7237441

Structure parameters

• Chemical name: 2,8-bis(1-methyl-10H-phenothiazin-10-yl)dibenzo[b,d]thiophene, chloroform solvate
• Formula: C39 H27 Cl3 N2 S3
• Calculated formula: C39 H27 Cl3 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: 11.0581 ± 0.0004 Å
• b: 15.5487 ± 0.0006 Å
• c: 20.2305 ± 0.0008 Å
• α: 93.7823 ± 0.0019°
• β: 97.0827 ± 0.0019°
• γ: 93.6859 ± 0.0017°
• Cell volume: 3435.1 ± 0.2 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 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: 0.1376
• Residual factor for significantly intense reflections: 0.079
• Weighted residual factors for significantly intense reflections: 0.1654
• Weighted residual factors for all reflections included in the refinement: 0.1934
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No