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Information card for entry 7155817
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| Coordinates | 7155817.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C31 H26 N2 O8 S2 |
|---|---|
| Calculated formula | C31 H26 N2 O8 S2 |
| Title of publication | One-pot facile synthesis of 4-amino-1,8-naphthalimide derived Tröger’s bases via a nucleophilic displacement approach |
| Authors of publication | Gunnlaugsson, Thorfinnur; Shanmugaraju, Sankarasekaran; McAdams, Deirdre; Pancotti, Francesca; Hawes, Chris Samuel; Veale, Emma; Kitchen, Jonathan A. |
| Journal of publication | Org. Biomol. Chem. |
| Year of publication | 2017 |
| a | 17.102 ± 0.007 Å |
| b | 8.688 ± 0.003 Å |
| c | 18.461 ± 0.008 Å |
| α | 90° |
| β | 98.011 ± 0.007° |
| γ | 90° |
| Cell volume | 2716.2 ± 1.9 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 99.98 K |
| Number of distinct elements | 5 |
| 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 | 0.066 |
| Residual factor for significantly intense reflections | 0.0543 |
| Weighted residual factors for significantly intense reflections | 0.145 |
| Weighted residual factors for all reflections included in the refinement | 0.1584 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.031 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 199762 (current) | 2017-08-15 | cif/ Adding structures of 7155817, 7155818 via cif-deposit CGI script. |
7155817.cif |
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Users of the data should acknowledge the original authors of the
structural data.