Information card for entry 4130070

Structure parameters

• Chemical name: GTA Monomer
• Formula: C22 H21 Cl N6 O3
• Calculated formula: C22 H21 Cl N6 O3
• SMILES: [Cl-].N(=C/c1ccccc1O)\NC(=[NH+]/N=C/c1c(O)cccc1)N/N=C/c1c(O)cccc1
• Title of publication: Self-Exfoliated Guanidinium-Based Ionic Covalent Organic Nanosheets (iCONs).
• Authors of publication: Mitra, Shouvik; Kandambeth, Sharath; Biswal, Bishnu P.; Khayum M, Abdul; Choudhury, Chandan K.; Mehta, Mihir; Kaur, Gagandeep; Banerjee, Subhrashis; Prabhune, Asmita; Verma, Sandeep; Roy, Sudip; Kharul, Ulhas K.; Banerjee, Rahul
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2016
• Journal volume: 138
• Journal issue: 8
• Pages of publication: 2823 - 2828
• a: 8.8088 ± 0.0005 Å
• b: 9.7607 ± 0.0005 Å
• c: 13.1099 ± 0.0008 Å
• α: 88.133 ± 0.004°
• β: 78.48 ± 0.005°
• γ: 84.582 ± 0.004°
• Cell volume: 1099.44 ± 0.11 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 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: 0.0897
• Residual factor for significantly intense reflections: 0.0592
• Weighted residual factors for significantly intense reflections: 0.1408
• Weighted residual factors for all reflections included in the refinement: 0.1631
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No