Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7234163
Preview
| Coordinates | 7234163.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | 9-N,10-N-bis(2-fluorophenyl)-7,8,11,12-tetraoxaspiro[5.6]dodecane-9,10-diamine |
|---|---|
| Formula | C20 H22 F2 N2 O4 |
| Calculated formula | C20 H22 F2 N2 O4 |
| Title of publication | New synthesis of tetraoxaspirododecane-diamines and tetraoxazaspirobicycloalkanes |
| Authors of publication | Makhmudiyarova, Nataliya N.; Shangaraev, Kamil R.; Dzhemileva, Lilya U.; Tyumkina, Tatyana V.; Mescheryakova, Ekaterina S.; D'yakonov, Vladimir A.; Ibragimov, Askhat G.; Dzhemilev, Usein M. |
| Journal of publication | RSC Advances |
| Year of publication | 2019 |
| Journal volume | 9 |
| Journal issue | 51 |
| Pages of publication | 29949 |
| a | 18.9061 ± 0.0006 Å |
| b | 11.4711 ± 0.0004 Å |
| c | 8.7831 ± 0.0003 Å |
| α | 90° |
| β | 99.134 ± 0.003° |
| γ | 90° |
| Cell volume | 1880.67 ± 0.11 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0985 |
| Residual factor for significantly intense reflections | 0.0544 |
| Weighted residual factors for significantly intense reflections | 0.1313 |
| Weighted residual factors for all reflections included in the refinement | 0.1617 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.03 |
| 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 |
|---|---|---|---|
| 218855 (current) | 2019-09-25 | cif/ Adding structures of 7234163, 7234164, 7234165, 7234166, 7234167, 7234168 via cif-deposit CGI script. |
7234163.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.