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Information card for entry 4037613
Preview
| Coordinates | 4037613.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C31 H24 O4 |
|---|---|
| Calculated formula | C31 H24 O4 |
| 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 | 8.2666 ± 0.0007 Å |
| b | 8.808 ± 0.001 Å |
| c | 32.691 ± 0.001 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2380.3 ± 0.3 Å3 |
| Cell temperature | 294 ± 2 K |
| Ambient diffraction temperature | 294 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 60 |
| Hermann-Mauguin space group symbol | P b c n |
| Hall space group symbol | -P 2n 2ab |
| Residual factor for all reflections | 0.0414 |
| Residual factor for significantly intense reflections | 0.0332 |
| Weighted residual factors for significantly intense reflections | 0.0934 |
| Weighted residual factors for all reflections included in the refinement | 0.0987 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.026 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| 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. |
4037613.cif |
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Users of the data should acknowledge the original authors of the
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