Information card for entry 4125499

Structure parameters

• Formula: C28 H32 N2 O8 S2
• Calculated formula: C28 H32 N2 O8 S2
• SMILES: Cc1ccc(cc1)S(=O)(=O)[O-].c1(ccc(cc1OC)c1ccc([NH3+])c(OC)c1)[NH3+].Cc1ccc(cc1)S(=O)(=O)[O-]
• 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: 21.814 ± 0.005 Å
• b: 5.665 ± 0.005 Å
• c: 23.078 ± 0.005 Å
• α: 90 ± 0.005°
• β: 101.57 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 2794 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.092
• Residual factor for significantly intense reflections: 0.0655
• Weighted residual factors for significantly intense reflections: 0.12
• Weighted residual factors for all reflections included in the refinement: 0.1301
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No