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Information card for entry 7239267
Preview
| Coordinates | 7239267.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | Kemp-benzidine |
|---|---|
| Formula | C20 H26 N O5 S |
| Calculated formula | C20 H26 N O5 S |
| Title of publication | The exploration of Kemp's triacid (KTA) as the core for the synthesis of 3-fold symmetric 23-cyclophane, 22-cyclophane and novel linker directed designs |
| Authors of publication | Naini, Santhosh Reddy; Ranganathan, Subramania; Yadav, Jhillu Singh; Ramakrishna, K. V. S.; Gayatri, G.; Sastry, G. Narahari; Roy, K. Basu; Shamala, N. |
| Journal of publication | RSC Advances |
| Year of publication | 2014 |
| Journal volume | 4 |
| Journal issue | 11 |
| Pages of publication | 5322 |
| a | 7.5846 ± 0.0015 Å |
| b | 18.384 ± 0.003 Å |
| c | 14.401 ± 0.003 Å |
| α | 90° |
| β | 102.535 ± 0.008° |
| γ | 90° |
| Cell volume | 1960.1 ± 0.7 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0699 |
| Residual factor for significantly intense reflections | 0.0534 |
| Weighted residual factors for significantly intense reflections | 0.1481 |
| Weighted residual factors for all reflections included in the refinement | 0.1643 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.961 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 244626 (current) | 2019-11-28 | cif/ Adding structures of 7239267 via cif-deposit CGI script. |
7239267.cif |
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Users of the data should acknowledge the original authors of the
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