Information card for entry 7132776

Structure parameters

• Formula: C42 H48 N8 O16 S4
• Calculated formula: C42 H48 N8 O16 S4
• SMILES: S(=O)(=O)([O-])c1ccc(cc1)C(=C(\c1ccc(S(=O)(=O)[O-])cc1)c1ccc(S(=O)(=O)[O-])cc1)\c1ccc(S(=O)(=O)[O-])cc1.O.O.O.O.NC(=[NH2+])c1ccc(cc1)C(=[NH2+])N.NC(=[NH2+])c1ccc(C(=[NH2+])N)cc1
• Title of publication: A solvent-controlled photoresponsive ionic hydrogen-bonded organic framework for encryption applications.
• Authors of publication: Huang, Ming-Feng; Cao, Li-Hui; Zhou, Bin
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2024
• Journal volume: 60
• Journal issue: 25
• Pages of publication: 3437 - 3440
• a: 12.9205 ± 0.0002 Å
• b: 27.6064 ± 0.0004 Å
• c: 15.3072 ± 0.0002 Å
• α: 90°
• β: 113.718 ± 0.0007°
• γ: 90°
• Cell volume: 4998.72 ± 0.13 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• 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: 0.0933
• Residual factor for significantly intense reflections: 0.0895
• Weighted residual factors for significantly intense reflections: 0.2377
• Weighted residual factors for all reflections included in the refinement: 0.2409
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No