Information card for entry 7064433

Structure parameters

• Formula: C68 H52 N4 O2
• Calculated formula: C68 H52 N4 O2
• Title of publication: Regioisomers of carbazole- and triphenylamine-based D–A–D ternaries: synthesis, optical properties and colorimetric vapochromic anti-counterfeiting application
• Authors of publication: Arunkumar, S.; Kumar, George Rajendra
• Journal of publication: New Journal of Chemistry
• Year of publication: 2026
• Journal volume: 50
• Journal issue: 18
• Pages of publication: 7706 - 7714
• a: 8.6028 Å
• b: 9.6724 Å
• c: 15.9684 Å
• α: 90.14°
• β: 96.18°
• γ: 106.653°
• Cell volume: 1264.82 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0606
• Residual factor for significantly intense reflections: 0.051
• Weighted residual factors for significantly intense reflections: 0.1838
• Weighted residual factors for all reflections included in the refinement: 0.1968
• Goodness-of-fit parameter for all reflections included in the refinement: 1.5573
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No