Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1551804
Preview
| Coordinates | 1551804.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | Fluoresecein hudrazide |
|---|---|
| Formula | C28 H22 N2 O8 |
| Calculated formula | C28 H22 N2 O8 |
| SMILES | O1c2cc(ccc2C2(c3ccc(cc13)OC(=O)C)N(C(=O)c1ccccc21)N(C(=O)C)C(=O)C)OC(=O)C |
| Title of publication | Crystal Structure of Tetraacetyl Fluorescein Hydrazide |
| Authors of publication | NAKAHARA, Ryosuke; DOI, Mitsunobu; KITANI, Yuuki; YAMAGUCHI, Takako; FUJITA, Yoshikazu |
| Journal of publication | X-ray Structure Analysis Online |
| Year of publication | 2009 |
| Journal volume | 25 |
| Pages of publication | 21 |
| a | 8.889 ± 0.002 Å |
| b | 14.379 ± 0.003 Å |
| c | 19.92 ± 0.005 Å |
| α | 90° |
| β | 96.629 ± 0.004° |
| γ | 90° |
| Cell volume | 2529.1 ± 1 Å3 |
| Cell temperature | 240 ± 2 K |
| Ambient diffraction temperature | 240 ± 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 | 0.1335 |
| Residual factor for significantly intense reflections | 0.0985 |
| Weighted residual factors for significantly intense reflections | 0.2455 |
| Weighted residual factors for all reflections included in the refinement | 0.2723 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.999 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 216417 (current) | 2019-06-20 | cif/ Adding structures of 1551804 via cif-deposit CGI script. |
1551804.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.