Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2011091
Preview
| Coordinates | 2011091.cif |
|---|---|
| Structure factors | 2011091.hkl |
| Original IUCr paper | HTML |
| Chemical name | 21α-fluoro-7-norvouacapane-17β,21α-lactone |
|---|---|
| Formula | C20 H25 F O3 |
| Calculated formula | C20 H25 F O3 |
| SMILES | F[C@H]1OC(=O)[C@H]2[C@@H]3[C@H]1[C@H]1C(CCC[C@@]1([C@H]3Cc1occc21)C)(C)C |
| Title of publication | 21α-Fluoro-7-norvouacapane-17β,21α-lactone |
| Authors of publication | Ruggiero, Silvana Guilardi; Gambardella, Maria Teresa do Prado; Branco, Marcelo Cardoso; Demuner, Antonio Jacinto; Barbosa, Luis Claudio A.; Piló-Veloso, Dorila |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2000 |
| Journal volume | 56 |
| Journal issue | 7 |
| Pages of publication | 868 - 869 |
| a | 9.44 ± 0.001 Å |
| b | 9.366 ± 0.001 Å |
| c | 9.741 ± 0.001 Å |
| α | 90° |
| β | 101.69 ± 0.01° |
| γ | 90° |
| Cell volume | 843.39 ± 0.16 Å3 |
| Cell temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.048 |
| Residual factor for significantly intense reflections | 0.035 |
| Weighted residual factors for all reflections included in the refinement | 0.097 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.111 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|
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.