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Information card for entry 7157735
Preview
| Coordinates | 7157735.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C40 H52 O11 |
|---|---|
| Calculated formula | C40 H52 O11 |
| Title of publication | Functionalized fluorescent terephthalate monomers and their attempted polyester formation. |
| Authors of publication | Choo, Yvonne S. L.; Giamberini, Marta; Antonio, José; Waddell, Paul G.; Benniston, Andrew C. |
| Journal of publication | Organic & biomolecular chemistry |
| Year of publication | 2020 |
| Journal volume | 18 |
| Journal issue | 42 |
| Pages of publication | 8735 - 8745 |
| a | 17.1752 ± 0.0002 Å |
| b | 8.82114 ± 0.00017 Å |
| c | 24.8611 ± 0.0005 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3766.58 ± 0.11 Å3 |
| Cell temperature | 150 ± 0.2 K |
| Ambient diffraction temperature | 150 ± 0.2 K |
| Number of distinct elements | 3 |
| Space group number | 60 |
| Hermann-Mauguin space group symbol | P b c n |
| Hall space group symbol | -P 2n 2ab |
| Residual factor for all reflections | 0.0486 |
| Residual factor for significantly intense reflections | 0.0357 |
| Weighted residual factors for significantly intense reflections | 0.0846 |
| Weighted residual factors for all reflections included in the refinement | 0.0925 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.041 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301861 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/15/ Each referenced PubChem compound corresponds to the full crystal structure. |
7157735.cif |
| 258954 | 2020-11-06 | cif/ Updating files of 7157735 Original log message: Adding full bibliography for 7157735.cif. |
7157735.cif |
| 258361 | 2020-10-14 | cif/ Adding structures of 7157735 via cif-deposit CGI script. |
7157735.cif |
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Users of the data should acknowledge the original authors of the
structural data.