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Information card for entry 4038501
Preview
| Coordinates | 4038501.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C1.714 H1.486 N0.343 |
|---|---|
| Calculated formula | C1.71429 H1.48571 N0.342857 |
| Title of publication | The Effect of Base and Nucleophile on the Nucleophilic Substitution of Methoxytropone Derivatives: An Easy Access to 4- and 5-Substituted Multifunctional Azulenes. |
| Authors of publication | Kumar, Neha; Agrawal, Abhijeet R.; Choudhury, Aditya; Zade, Sanjio S. |
| Journal of publication | The Journal of organic chemistry |
| Year of publication | 2020 |
| a | 7.022 ± 0.0011 Å |
| b | 11.2016 ± 0.0017 Å |
| c | 15.789 ± 0.002 Å |
| α | 90° |
| β | 99.001 ± 0.014° |
| γ | 90° |
| Cell volume | 1226.6 ± 0.3 Å3 |
| Cell temperature | 100 ± 0.1 K |
| Ambient diffraction temperature | 100 ± 0.1 K |
| Number of distinct elements | 3 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.1379 |
| Residual factor for significantly intense reflections | 0.0821 |
| Weighted residual factors for significantly intense reflections | 0.1705 |
| Weighted residual factors for all reflections included in the refinement | 0.1987 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.1139 |
| 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 |
|---|---|---|---|
| 253256 (current) | 2020-06-19 | cif/ Adding structures of 4038501, 4038502 via cif-deposit CGI script. |
4038501.cif |
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Users of the data should acknowledge the original authors of the
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