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Information card for entry 7234631
Preview
| Coordinates | 7234631.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C19 H15 N3 O2 |
|---|---|
| Calculated formula | C19 H15 N3 O2 |
| SMILES | o1c(nc2c1cccc2)c1ccc(cc1)/C=C1\N=C(N(C1=O)C)C |
| Title of publication | Effects of the benzoxazole group on green fluorescent protein chromophore crystal structure and solid state photophysics |
| Authors of publication | Abdelhamid Ghodbane; W. Brett Fellows; John R. Bright; Debashree Ghosh; Nathalie Saffon; Laren M. Tolbert; Suzanne Fery-Forgues; Kyril M. Solntsev |
| Journal of publication | Journal of Materials Chemistry C |
| Year of publication | 2016 |
| Journal volume | 4 |
| Pages of publication | 2793 - 2801 |
| a | 7.558 ± 0.002 Å |
| b | 13.561 ± 0.003 Å |
| c | 14.948 ± 0.004 Å |
| α | 88.586 ± 0.011° |
| β | 88.421 ± 0.012° |
| γ | 89.548 ± 0.011° |
| Cell volume | 1531 ± 0.7 Å3 |
| Cell temperature | 193 ± 2 K |
| Ambient diffraction temperature | 193 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.2605 |
| Residual factor for significantly intense reflections | 0.1283 |
| Weighted residual factors for significantly intense reflections | 0.2928 |
| Weighted residual factors for all reflections included in the refinement | 0.362 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.024 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301866 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 7/23/ Each referenced PubChem compound corresponds to the full crystal structure. |
7234631.cif |
| 219361 | 2019-10-15 | cif/ Adding structures of 7234631, 7234632, 7234633, 7234634 via cif-deposit CGI script. |
7234631.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
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.
Users of the data should acknowledge the original authors of the
structural data.