Information card for entry 4517460

Structure parameters

• Formula: C31 H45 Cl N6 O6
• Calculated formula: C31 H45 Cl N6 O6
• SMILES: [Cl-].O(c1c(/C=N/NC(=[NH+]/N=C/c2c(OC)cccc2)N/N=C/c2ccccc2OC)cccc1)C.OCC.OCC.OCC
• Title of publication: Proton Triggered Fluorescence Switching in Self-Exfoliated Ionic Covalent Organic Nanosheets for Applications in Selective Detection of Anions.
• Authors of publication: Singh, Harpreet; Devi, Manisha; Jena, Nityasagar; Iqbal, Mohamed Musthafa; Nailwal, Yogendra; De Sarkar, Abir; Pal, Santanu Kumar
• Journal of publication: ACS applied materials & interfaces
• Year of publication: 2020
• a: 10.6172 ± 0.0014 Å
• b: 12.2394 ± 0.0016 Å
• c: 12.8906 ± 0.0017 Å
• α: 97.354 ± 0.004°
• β: 90.322 ± 0.005°
• γ: 94.404 ± 0.004°
• Cell volume: 1656.2 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.093
• Residual factor for significantly intense reflections: 0.0592
• Weighted residual factors for significantly intense reflections: 0.1435
• Weighted residual factors for all reflections included in the refinement: 0.1623
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No