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Information card for entry 7158380
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| Coordinates | 7158380.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | 1,5-bis(2-methoxybenzyl)-2,4-dimethyl-carbohydrazide |
|---|---|
| Chemical name | 1,5-bis(2-methoxybenzyl)-2,4-dimethyl-carbohydrazide |
| Formula | C19 H22 N4 O3 |
| Calculated formula | C19 H22 N4 O3 |
| SMILES | O=C(N(/N=C/c1c(OC)cccc1)C)N(/N=C/c1c(OC)cccc1)C |
| Title of publication | Enhanced synthesis of oxo-verdazyl radicals bearing sterically-and electronically-diverse C3-substituents. |
| Authors of publication | Fuller, Rebecca O.; Taylor, Madeleine R.; Duggin, Margot; Bissember, Alex C.; Canty, Allan J.; Judd, Martyna M.; Cox, Nicholas; Moggach, Stephen A.; Turner, Gemma F. |
| Journal of publication | Organic & biomolecular chemistry |
| Year of publication | 2021 |
| Journal volume | 19 |
| Journal issue | 46 |
| Pages of publication | 10120 - 10138 |
| a | 8.5045 ± 0.0003 Å |
| b | 9.797 ± 0.0004 Å |
| c | 11.9453 ± 0.0005 Å |
| α | 108.084 ± 0.004° |
| β | 100.023 ± 0.003° |
| γ | 101.754 ± 0.003° |
| Cell volume | 895.65 ± 0.07 Å3 |
| Cell temperature | 100 ± 0.3 K |
| Ambient diffraction temperature | 100 ± 0.3 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 all reflections | 0.0754 |
| Residual factor for significantly intense reflections | 0.0668 |
| Weighted residual factors for significantly intense reflections | 0.1822 |
| Weighted residual factors for all reflections included in the refinement | 0.2014 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.07 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 271222 (current) | 2021-12-07 | cif/ Updating files of 7158376, 7158377, 7158378, 7158379, 7158380, 7158381, 7158382, 7158383, 7158384 Original log message: Adding full bibliography for 7158376--7158384.cif. |
7158380.cif |
| 270194 | 2021-11-02 | cif/ Adding structures of 7158376, 7158377, 7158378, 7158379, 7158380, 7158381, 7158382, 7158383, 7158384 via cif-deposit CGI script. |
7158380.cif |
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Users of the data should acknowledge the original authors of the
structural data.