Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1519225
Preview
| Coordinates | 1519225.cif |
|---|
| Formula | C25 H30 O7 |
|---|---|
| Calculated formula | C25 H30 O7 |
| SMILES | O(C)c1c(OC)ccc(c1)[C@H]1OC[C@]23OC(C)(C)c4c([C@@H]3OC[C@@H]12)cc(OC)c(OC)c4 |
| Title of publication | C25H30O7 |
| Authors of publication | Ward, Robert S.; Coles, Simon J.; Hursthouse, Michael B. |
| Journal of publication | Crystal Structure Report Archive |
| Year of publication | 1999 |
| Pages of publication | 1045 |
| a | 11.345 ± 0.002 Å |
| b | 8.087 ± 0.002 Å |
| c | 12.444 ± 0.002 Å |
| α | 90° |
| β | 95.23 ± 0.02° |
| γ | 90° |
| Cell volume | 1136.9 ± 0.4 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0535 |
| Residual factor for significantly intense reflections | 0.0364 |
| Weighted residual factors for significantly intense reflections | 0.0972 |
| Weighted residual factors for all reflections included in the refinement | 0.1165 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.846 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176729 (current) | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1519225.cif |
| 135543 | 2015-05-05 | cif/ Adding structures of 1519225 via cif-deposit CGI script. |
1519225.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.