Information card for entry 7133422

Structure parameters

• Chemical name: 4BPy-mDTC
• Formula: C58 H62 N4 O2.5
• Calculated formula: C58 H62 N4 O2.5
• Title of publication: Single-component TADF gels: study of the positional isomer effect on gelation and morphological effect on conductivity.
• Authors of publication: Nanda, Gyana Prakash; Chand, Savita; Rajamanickam, Suresh; Rajamalli, Pachaiyappan
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2024
• Journal volume: 60
• Journal issue: 69
• Pages of publication: 9234 - 9237
• a: 12.2185 ± 0.0017 Å
• b: 12.7948 ± 0.0017 Å
• c: 16.259 ± 0.002 Å
• α: 95.049 ± 0.007°
• β: 93.58 ± 0.007°
• γ: 102.198 ± 0.007°
• Cell volume: 2466.2 ± 0.6 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 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: 0.0696
• Residual factor for significantly intense reflections: 0.059
• Weighted residual factors for significantly intense reflections: 0.1644
• Weighted residual factors for all reflections included in the refinement: 0.1742
• Goodness-of-fit parameter for all reflections included in the refinement: 0.944
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No