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Information card for entry 1558953
Preview
| Coordinates | 1558953.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | Chiral Triptycene |
|---|---|
| Formula | C28 H28 O2 |
| Calculated formula | C28 H28 O2 |
| SMILES | O=C(OC)CC(C12c3ccccc3C(c3c(ccc(c13)C)C)c1c2cccc1)(C)C |
| Title of publication | Chiral Triptycenes Owing their Chirality to Hindered Rotation of a Bridgehead Substituent. Crystal Structure, Chromatographic Enantiomer Resolution, and Circular Dichroism Spectra |
| Authors of publication | Isaksson, Roland; Oki, Michinori; Sandstrom, Jan; Suissa, M. Rachel; Toyota, Shinji |
| Journal of publication | Acta Chemica Scandinavica |
| Year of publication | 1993 |
| Journal volume | 47 |
| Pages of publication | 570 - 576 |
| a | 11.673 ± 0.002 Å |
| b | 17.598 ± 0.003 Å |
| c | 11.376 ± 0.002 Å |
| α | 90° |
| β | 113.93 ± 0.01° |
| γ | 90° |
| Cell volume | 2136 ± 0.7 Å3 |
| Ambient diffraction temperature | 293 K |
| Number of distinct elements | 3 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/a 1 |
| Hall space group symbol | -P 2yab |
| Residual factor for significantly intense reflections | 0.072 |
| Weighted residual factors for significantly intense reflections | 0.052 |
| Goodness-of-fit parameter for all reflections included in the refinement | 2.97 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 255800 (current) | 2020-09-02 | cif/ Adding structures of 1558953 via cif-deposit CGI script. |
1558953.cif |
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