Information card for entry 4125497

Structure parameters

• Formula: C26 H28 N4 O6 S2
• Calculated formula: C26 H28 N4 O6 S2
• SMILES: Cc1ccc(cc1)S(=O)(=O)[O-].Cc1ccc(cc1)S(=O)(=O)[O-].c1(ccc(cc1)/N=N/c1ccc(cc1)[NH3+])[NH3+]
• Title of publication: Constructing Ultraporous Covalent Organic Frameworks in Seconds via an Organic Terracotta Process.
• Authors of publication: Karak, Suvendu; Kandambeth, Sharath; Biswal, Bishnu P.; Sasmal, Himadri Sekhar; Kumar, Sushil; Pachfule, Pradip; Banerjee, Rahul
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• Journal volume: 139
• Journal issue: 5
• Pages of publication: 1856 - 1862
• a: 17.462 ± 0.0006 Å
• b: 7.1855 ± 0.0002 Å
• c: 22.0942 ± 0.0007 Å
• α: 90°
• β: 90.221 ± 0.003°
• γ: 90°
• Cell volume: 2772.21 ± 0.15 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.1114
• Residual factor for significantly intense reflections: 0.0925
• Weighted residual factors for significantly intense reflections: 0.2674
• Weighted residual factors for all reflections included in the refinement: 0.2902
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No