Information card for entry 7131542

Structure parameters

• Formula: C33 H22 Br N O6
• Calculated formula: C31 H21.49 Br N O4.5
• Title of publication: Syntheses of heterotriptycenes and their Pt complexes that emit circularly polarised fluorescence and phosphorescence.
• Authors of publication: Inoue, Ryo; Furumoto, Kyosuke; Morisaki, Yasuhiro
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2023
• Journal volume: 59
• Journal issue: 37
• Pages of publication: 5571 - 5574
• a: 12.3684 ± 0.0014 Å
• b: 14.0492 ± 0.0013 Å
• c: 60.098 ± 0.008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 10443 ± 2 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• Space group number: 20
• Hermann-Mauguin space group symbol: C 2 2 21
• Hall space group symbol: C 2c 2
• Residual factor for all reflections: 0.219
• Residual factor for significantly intense reflections: 0.1719
• Weighted residual factors for significantly intense reflections: 0.3799
• Weighted residual factors for all reflections included in the refinement: 0.4118
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No