Information card for entry 7131155

Structure parameters

• Formula: C34 H30 F12 N6 O2 P2
• Calculated formula: C34 H30 F12 N6 O2 P2
• Title of publication: Highly electron deficient diketopyrrolopyrroles.
• Authors of publication: Humphreys, Joshua; Malagreca, Ferdinando; Hume, Paul A.; Davies, E. Stephen; Argent, Stephen P.; Bradshaw, Tracey D.; Amabilino, David B.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2023
• Journal volume: 59
• Journal issue: 12
• Pages of publication: 1613 - 1616
• a: 6.56026 ± 0.00005 Å
• b: 13.16435 ± 0.00008 Å
• c: 21.40535 ± 0.00013 Å
• α: 90°
• β: 95.7893 ± 0.0006°
• γ: 90°
• Cell volume: 1839.17 ± 0.02 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0448
• Residual factor for significantly intense reflections: 0.0434
• Weighted residual factors for significantly intense reflections: 0.1149
• Weighted residual factors for all reflections included in the refinement: 0.1159
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No