Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7055537
Preview
| Coordinates | 7055537.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Chemical name | 4-arylidene-5-imidazolinone |
|---|---|
| Formula | C17 H14 N2 O2 |
| Calculated formula | C17 H14 N2 O2 |
| SMILES | Oc1ccc(cc1)/C=C1\N=C(N(C1=O)c1ccccc1)C |
| Title of publication | PCl3-mediated synthesis of green/cyan fluorescent protein chromophores using amino acids |
| Authors of publication | Singh, Thokchom Prasanta; Shunmugam, Raja |
| Journal of publication | New J. Chem. |
| Year of publication | 2016 |
| Journal volume | 40 |
| Journal issue | 4 |
| Pages of publication | 3024 |
| a | 11.2845 ± 0.0008 Å |
| b | 11.5944 ± 0.0008 Å |
| c | 12.0744 ± 0.0009 Å |
| α | 90° |
| β | 114.97 ± 0.009° |
| γ | 90° |
| Cell volume | 1432.1 ± 0.2 Å3 |
| Cell temperature | 290.8 ± 0.1 K |
| Ambient diffraction temperature | 290.8 ± 0.1 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0772 |
| Residual factor for significantly intense reflections | 0.0598 |
| Weighted residual factors for significantly intense reflections | 0.1489 |
| Weighted residual factors for all reflections included in the refinement | 0.1637 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.05 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301851 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/05/ Each referenced PubChem compound corresponds to the full crystal structure. |
7055537.cif |
| 182591 | 2016-05-05 | cif/ Adding structures of 7055537 via cif-deposit CGI script. |
7055537.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.