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Information card for entry 7156266
Preview
| Coordinates | 7156266.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C72 H112 N2 O8 P2 |
|---|---|
| Calculated formula | C72 H112 N2 O8 P2 |
| Title of publication | Backbone conformation affects duplex initiation and duplex propagation in hybridisation of synthetic H-bonding oligomers. |
| Authors of publication | Iadevaia, Giulia; Núñez-Villanueva, Diego; Stross, Alexander E.; Hunter, Christopher A. |
| Journal of publication | Organic & biomolecular chemistry |
| Year of publication | 2018 |
| Journal volume | 16 |
| Journal issue | 22 |
| Pages of publication | 4183 - 4190 |
| a | 21.0973 ± 0.0005 Å |
| b | 11.579 ± 0.0003 Å |
| c | 14.9601 ± 0.0004 Å |
| α | 90° |
| β | 109.03 ± 0.002° |
| γ | 90° |
| Cell volume | 3454.81 ± 0.16 Å3 |
| Cell temperature | 150 K |
| Ambient diffraction temperature | 150 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 | 0.1938 |
| Residual factor for significantly intense reflections | 0.154 |
| Weighted residual factors for significantly intense reflections | 0.4485 |
| Weighted residual factors for all reflections included in the refinement | 0.4875 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.904 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301861 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/15/ Each referenced PubChem compound corresponds to the full crystal structure. |
7156266.cif |
| 230597 | 2019-11-17 | cif/ Updating files of 7156266 Original log message: Adding full bibliography for 7156266.cif. |
7156266.cif |
| 207942 | 2018-05-23 | cif/ Adding structures of 7156266 via cif-deposit CGI script. |
7156266.cif |
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Users of the data should acknowledge the original authors of the
structural data.