Information card for entry 4125500

Structure parameters

• Formula: C24 H26 N4 O6 S2
• Calculated formula: C24 H26 N4 O6 S2
• SMILES: c1(ccc(c[nH+]1)N)c1ccc(c[nH+]1)N.O=S(=O)([O-])c1ccc(C)cc1.c1(S(=O)(=O)[O-])ccc(C)cc1
• 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: 6.8608 ± 0.0008 Å
• b: 7.4854 ± 0.0009 Å
• c: 12.4733 ± 0.0011 Å
• α: 94.583 ± 0.009°
• β: 100.837 ± 0.009°
• γ: 97.837 ± 0.009°
• Cell volume: 619.6 ± 0.12 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.1115
• Residual factor for significantly intense reflections: 0.0882
• Weighted residual factors for significantly intense reflections: 0.2739
• Weighted residual factors for all reflections included in the refinement: 0.2879
• Goodness-of-fit parameter for all reflections included in the refinement: 1.171
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No