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Information card for entry 4131970
Preview
| Coordinates | 4131970.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C58 H64 N4 O13 S4 |
|---|---|
| Calculated formula | C58 H64 N4 O13 S4 |
| Title of publication | Porosity Prediction through Hydrogen Bonding in Covalent Organic Frameworks. |
| Authors of publication | Karak, Suvendu; Kumar, Sushil; Pachfule, Pradip; Banerjee, Rahul |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2018 |
| Journal volume | 140 |
| Journal issue | 15 |
| Pages of publication | 5138 - 5145 |
| a | 26.738 ± 0.005 Å |
| b | 7.081 ± 0.0011 Å |
| c | 30.146 ± 0.007 Å |
| α | 90° |
| β | 90.53 ± 0.02° |
| γ | 90° |
| Cell volume | 5707.4 ± 1.9 Å3 |
| 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 | 0.144 |
| Residual factor for significantly intense reflections | 0.0799 |
| Weighted residual factors for significantly intense reflections | 0.1975 |
| Weighted residual factors for all reflections included in the refinement | 0.2479 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.941 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 242032 (current) | 2019-11-25 | cif/ Adding structures of 4131967, 4131968, 4131969, 4131970, 4131971, 4131972, 4131973, 4131974, 4131975, 4131976, 4131977 via cif-deposit CGI script. |
4131970.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.