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Information card for entry 4035649
Preview
| Coordinates | 4035649.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C26 H24 N2 O2 |
|---|---|
| Calculated formula | C26 H24 N2 O2 |
| SMILES | c1c(c2c(c1)ccccc2)CC(=O)NCCNC(=O)Cc1ccc2cccccc12 |
| Title of publication | Catalytic Functionalization of C-H Bonds of Azulene by Carbene/Nitrene Incorporation. |
| Authors of publication | Carreras, Javier; Popowski, Yanay; Caballero, Ana; Amir, Elizabeth; Pérez, Pedro J |
| Journal of publication | The Journal of organic chemistry |
| Year of publication | 2018 |
| Journal volume | 83 |
| Journal issue | 18 |
| Pages of publication | 11125 - 11132 |
| a | 38.954 ± 0.003 Å |
| b | 5.8456 ± 0.0004 Å |
| c | 9.0416 ± 0.0006 Å |
| α | 90° |
| β | 91.242 ± 0.004° |
| γ | 90° |
| Cell volume | 2058.4 ± 0.3 Å3 |
| Cell temperature | 110 ± 2 K |
| Ambient diffraction temperature | 110 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.1239 |
| Residual factor for significantly intense reflections | 0.0781 |
| Weighted residual factors for significantly intense reflections | 0.2234 |
| Weighted residual factors for all reflections included in the refinement | 0.338 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.277 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 227098 (current) | 2019-11-11 | cif/ Adding structures of 4035649 via cif-deposit CGI script. |
4035649.cif |
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Users of the data should acknowledge the original authors of the
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