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Information card for entry 4031554
Preview
| Coordinates | 4031554.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C16 H25 N O6 |
|---|---|
| Calculated formula | C16 H25 N O6 |
| SMILES | O(C(=O)C)[C@H]1C2N(C(=O)OC(C)(C)C)CC(C[C@@H]2OC(=O)C)C1 |
| Title of publication | General Approach to Nitrogen-Bridged Bicyclic Frameworks by Rh-Catalyzed Formal Carbenoid Insertion into an Amide C-N Bond. |
| Authors of publication | Harada, Shingo; Kono, Masato; Nozaki, Tomoyuki; Menjo, Yasuhiro; Nemoto, Tetsuhiro; Hamada, Yasumasa |
| Journal of publication | The Journal of organic chemistry |
| Year of publication | 2015 |
| Journal volume | 80 |
| Journal issue | 20 |
| Pages of publication | 10317 - 10333 |
| a | 9.6378 ± 0.0005 Å |
| b | 10.0839 ± 0.0005 Å |
| c | 10.0864 ± 0.0005 Å |
| α | 90.206 ± 0.004° |
| β | 103.919 ± 0.003° |
| γ | 115.144 ± 0.003° |
| Cell volume | 855.05 ± 0.08 Å3 |
| Cell temperature | 93 K |
| Ambient diffraction temperature | 93 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for significantly intense reflections | 0.0465 |
| Weighted residual factors for all reflections included in the refinement | 0.1223 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.047 |
| Diffraction radiation wavelength | 1.54187 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301828 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/03/ Each referenced PubChem compound corresponds to the full crystal structure. |
4031554.cif |
| 170093 | 2015-11-06 | cif/ Updating files of 4031554, 4031555, 4031556 Original log message: Adding full bibliography for 4031554--4031556.cif. |
4031554.cif |
| 160581 | 2015-10-07 | cif/ Adding structures of 4031554 via cif-deposit CGI script. |
4031554.cif |
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Users of the data should acknowledge the original authors of the
structural data.