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Information card for entry 4037615
Preview
| Coordinates | 4037615.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C19 H14 N2 O6 |
|---|---|
| Calculated formula | C19 H14 N2 O6 |
| Title of publication | Synthesis of functionalized chiral carbocyclic cleft molecules complementary to Tröger's base derivatives. |
| Authors of publication | Kimber, M. C.; Try, A. C.; Painter, L.; Harding, M. M.; Turner, P. |
| Journal of publication | The Journal of organic chemistry |
| Year of publication | 2000 |
| Journal volume | 65 |
| Journal issue | 10 |
| Pages of publication | 3042 - 3046 |
| a | 14.1687 ± 0.0019 Å |
| b | 5.1867 ± 0.0007 Å |
| c | 22.746 ± 0.003 Å |
| α | 90° |
| β | 100.692 ± 0.002° |
| γ | 90° |
| Cell volume | 1642.6 ± 0.4 Å3 |
| Cell temperature | 297 ± 2 K |
| Ambient diffraction temperature | 297 ± 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 | 0.0698 |
| Residual factor for significantly intense reflections | 0.056 |
| Weighted residual factors for significantly intense reflections | 0.1536 |
| Weighted residual factors for all reflections included in the refinement | 0.1655 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.074 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 243451 (current) | 2019-11-26 | cif/ Adding structures of 4037612, 4037613, 4037614, 4037615 via cif-deposit CGI script. |
4037615.cif |
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Users of the data should acknowledge the original authors of the
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