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Information card for entry 1562415
Preview
| Coordinates | 1562415.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | Methyl 4-(2-thienyl)benzoate |
|---|---|
| Formula | C12 H10 O2 S |
| Calculated formula | C12 H10 O2 S |
| Title of publication | Strategic design and synthesis of star-shaped organic linkers for mesoporous MOFs. |
| Authors of publication | Fucci, Rosa; Vande Velde, Christophe M. L. |
| Journal of publication | Faraday discussions |
| Year of publication | 2021 |
| Journal volume | 231 |
| Journal issue | 0 |
| Pages of publication | 97 - 111 |
| a | 5.968 ± 0.003 Å |
| b | 7.371 ± 0.003 Å |
| c | 24.21 ± 0.005 Å |
| α | 90° |
| β | 94.51 ± 0.02° |
| γ | 90° |
| Cell volume | 1061.7 ± 0.7 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 9 |
| Hermann-Mauguin space group symbol | I 1 a 1 |
| Hall space group symbol | I -2ya |
| Residual factor for all reflections | 0.0432 |
| Residual factor for significantly intense reflections | 0.0419 |
| Weighted residual factors for significantly intense reflections | 0.1232 |
| Weighted residual factors for all reflections included in the refinement | 0.1251 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.079 |
| Diffraction radiation wavelength | 1.54187 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 270453 (current) | 2021-11-06 | cif/ Updating files of 1562413, 1562414, 1562415, 1562416, 1562417, 1562418 Original log message: Adding full bibliography for 1562413--1562418.cif. |
1562415.cif |
| 265030 | 2021-05-07 | cif/ Adding structures of 1562413, 1562414, 1562415, 1562416, 1562417, 1562418 via cif-deposit CGI script. |
1562415.cif |
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Users of the data should acknowledge the original authors of the
structural data.