Information card for entry 7237436

Structure parameters

• Chemical name: 2,8-Bis(phenothiazin-10-yl)dibenzo[b,d]thiophene, deuterochloroform monosolvate
• Formula: C37 H22 Cl3 D N2 S3
• Calculated formula: C36.97 H22 Cl2.91 D0.97 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: 7.2606 ± 0.0004 Å
• b: 13.8198 ± 0.0007 Å
• c: 17.5138 ± 0.0009 Å
• α: 105.274 ± 0.0017°
• β: 94.0471 ± 0.0019°
• γ: 103.967 ± 0.0018°
• Cell volume: 1628.15 ± 0.15 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 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: 0.0771
• Residual factor for significantly intense reflections: 0.0539
• Weighted residual factors for significantly intense reflections: 0.131
• Weighted residual factors for all reflections included in the refinement: 0.1432
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No