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Information card for entry 7226175
Preview
| Coordinates | 7226175.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C14 H16 N2 O3 |
|---|---|
| Calculated formula | C14 H16 N2 O3 |
| SMILES | O(C)c1cc(/C=C/2N=C(C)N(C2=O)C)c(OC)cc1 |
| Title of publication | Solvent H-bond accepting ability induced conformational change and its influence towards fluorescence enhancement and dual fluorescence of hydroxy meta-GFP chromophore analogue. |
| Authors of publication | Chatterjee, Tanmay; Mandal, Mrinal; Mandal, Prasun K. |
| Journal of publication | Physical chemistry chemical physics : PCCP |
| Year of publication | 2016 |
| Journal volume | 18 |
| Journal issue | 35 |
| Pages of publication | 24332 - 24342 |
| a | 8.3642 ± 0.0005 Å |
| b | 7.8279 ± 0.0005 Å |
| c | 20.8234 ± 0.0014 Å |
| α | 90° |
| β | 90.819 ± 0.006° |
| γ | 90° |
| Cell volume | 1363.25 ± 0.15 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.09 |
| Residual factor for significantly intense reflections | 0.0694 |
| Weighted residual factors for significantly intense reflections | 0.2087 |
| Weighted residual factors for all reflections included in the refinement | 0.222 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.147 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301865 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/22/ Each referenced PubChem compound corresponds to the full crystal structure. |
7226175.cif |
| 186490 | 2016-09-10 | cif/ Updating files of 7226174, 7226175 Original log message: Adding full bibliography for 7226174--7226175.cif. |
7226175.cif |
| 185050 | 2016-08-06 | cif/ Adding structures of 7226174, 7226175 via cif-deposit CGI script. |
7226175.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.