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Information card for entry 4516914
Preview
| Coordinates | 4516914.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | Bis(phenylmethyl) 2,8-Dinitro-1,5-naphthalenediylcarbamate THF solvate |
|---|---|
| Formula | C30 H28 N4 O9 |
| Calculated formula | C30 H28 N4 O9 |
| Title of publication | Synthesis of Salts of 1,2,5,6- and 1,4,5,8-Naphthalenetetramine. |
| Authors of publication | Langis-Barsetti, Sophie; Maris, Thierry; Wuest, James D. |
| Journal of publication | ACS omega |
| Year of publication | 2017 |
| Journal volume | 2 |
| Journal issue | 9 |
| Pages of publication | 6023 - 6030 |
| a | 16.095 ± 0.004 Å |
| b | 21.593 ± 0.005 Å |
| c | 8.257 ± 0.002 Å |
| α | 90° |
| β | 101.741 ± 0.011° |
| γ | 90° |
| Cell volume | 2809.6 ± 1.2 Å3 |
| Cell temperature | 150 K |
| Ambient diffraction temperature | 150 K |
| Number of distinct elements | 4 |
| 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 | 0.1921 |
| Residual factor for significantly intense reflections | 0.0978 |
| Weighted residual factors for significantly intense reflections | 0.2271 |
| Weighted residual factors for all reflections included in the refinement | 0.2893 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.013 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.34139 Å |
| Diffraction radiation type | GaKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 239629 (current) | 2019-11-24 | cif/ Adding structures of 4516914 via cif-deposit CGI script. |
4516914.cif |
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Users of the data should acknowledge the original authors of the
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