Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1534103
Preview
| Coordinates | 1534103.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C24 H21 N |
|---|---|
| Calculated formula | C24 H21 N |
| SMILES | c1(ccc2c3c1ccc1c3c(cc2)ccc1)C1=CCC2CN1CCC2 |
| Title of publication | Total Synthesis of (±)-Eucophylline. A Free-Radical Approach to the Synthesis of the Azabicyclo[3.3.1]nonane Skeleton. |
| Authors of publication | Hassan, Haitham; Mohammed, Shireen; Robert, Frédéric; Landais, Yannick |
| Journal of publication | Organic letters |
| Year of publication | 2015 |
| Journal volume | 17 |
| Journal issue | 18 |
| Pages of publication | 4518 - 4521 |
| a | 7.4677 ± 0.0011 Å |
| b | 18.793 ± 0.003 Å |
| c | 24.102 ± 0.004 Å |
| α | 90° |
| β | 94.988 ± 0.006° |
| γ | 90° |
| Cell volume | 3369.7 ± 0.9 Å3 |
| Cell temperature | 133 ± 2 K |
| Ambient diffraction temperature | 133 ± 2 K |
| Number of distinct elements | 3 |
| 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 | 0.0734 |
| Residual factor for significantly intense reflections | 0.0507 |
| Weighted residual factors for significantly intense reflections | 0.1377 |
| Weighted residual factors for all reflections included in the refinement | 0.1448 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.013 |
| Diffraction radiation wavelength | 1.54187 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 182022 (current) | 2016-04-12 | cif/1 Fixing some Z values and formulae |
1534103.cif |
| 176428 | 2016-02-13 | Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively. |
1534103.cif |
| 160457 | 2015-10-06 | cif/ Adding structures of 1534103 via cif-deposit CGI script. |
1534103.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.