Information card for entry 7063992

Structure parameters

• Formula: C50.25 H35.25 N4 O
• Calculated formula: C50.25 H35.25 N4 O
• Title of publication: Mechanochromism and aggregation-induced emission directed by donor strength in quinoxaline-based D–A molecules with application in latent fingerprinting and inkless writing
• Authors of publication: Kumar, Surendra; Srivastava, Ankit Kumar; Kushwaha, Ashish Kumar; Kumar, Anjani; Singh, Roop Shikha
• Journal of publication: New Journal of Chemistry
• Year of publication: 2025
• Journal volume: 49
• Journal issue: 39
• Pages of publication: 17300 - 17312
• a: 14.7041 ± 0.0005 Å
• b: 7.4689 ± 0.0002 Å
• c: 35.5426 ± 0.001 Å
• α: 90°
• β: 90.348 ± 0.003°
• γ: 90°
• Cell volume: 3903.3 ± 0.2 ų
• Cell temperature: 294.7 ± 0.8 K
• Ambient diffraction temperature: 294.7 ± 0.8 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.12
• Residual factor for significantly intense reflections: 0.0642
• Weighted residual factors for significantly intense reflections: 0.1913
• Weighted residual factors for all reflections included in the refinement: 0.2247
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No