Information card for entry 1576714

Structure parameters

• Formula: C2.88 H1.6 N0.32 S0.213
• Calculated formula: C2.88 H1.6 N0.32 S0.213333
• 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
• Journal volume: 17
• Journal issue: 16
• Pages of publication: 8218 - 8228
• a: 14.7217 ± 0.001 Å
• b: 13.5089 ± 0.001 Å
• c: 23.0981 ± 0.0017 Å
• α: 90°
• β: 90.911 ± 0.002°
• γ: 90°
• Cell volume: 4593 ± 0.6 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 295 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: 0.1415
• Residual factor for significantly intense reflections: 0.1194
• Weighted residual factors for significantly intense reflections: 0.3805
• Weighted residual factors for all reflections included in the refinement: 0.3968
• Goodness-of-fit parameter for all reflections included in the refinement: 3.0581
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No