Information card for entry 1576715

Structure parameters

• Formula: C27 H15 N3 S2
• Calculated formula: C27 H15 N3 S2
• Title of publication: Stepwise Functionalization-Induced Molecular Tweak Unveiling Multi-Level Thermochromic Data Encryption and Fingerprint Monitoring System
• Authors of publication: Barman, Debika; Parui, Retwik; Iyer, Parameswar Krishnan
• Journal of publication: Chemical Science
• Year of publication: 2026
• a: 10.8065 ± 0.0011 Å
• b: 10.2267 ± 0.001 Å
• c: 19.839 ± 0.002 Å
• α: 90°
• β: 90.963 ± 0.003°
• γ: 90°
• Cell volume: 2192.2 ± 0.4 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 K
• Number of distinct elements: 4
• 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: 0.0792
• Residual factor for significantly intense reflections: 0.059
• Weighted residual factors for significantly intense reflections: 0.1495
• Weighted residual factors for all reflections included in the refinement: 0.1766
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1354
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No