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Information card for entry 1571473
Preview
| Coordinates | 1571473.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C27 H19 N O5 |
|---|---|
| Calculated formula | C27 H19 N O5 |
| SMILES | O1[C@@H](N(=O)=O)[C@@H](c2c1ccc1ccc3occ(c3c21)c1ccccc1OC)c1ccccc1.O1[C@H](N(=O)=O)[C@H](c2c3c4c(coc4ccc3ccc12)c1ccccc1OC)c1ccccc1 |
| Title of publication | Padlocking dihydrofurannulation for the control of small degree of helicity built on a fused-tetracyclic core. |
| Authors of publication | Gaucherand, Arthur; Yen-Pon, Expédite; García-López, Diego; Naubron, Jean-Valère; Chentouf, Sara; Giorgi, Michel; Humbel, Stéphane; Jean, Marion; Rodriguez, Jean; Bonne, Damien |
| Journal of publication | Chemical science |
| Year of publication | 2024 |
| Journal volume | 15 |
| Journal issue | 19 |
| Pages of publication | 7300 - 7307 |
| a | 15.4716 ± 0.0008 Å |
| b | 10.1507 ± 0.0008 Å |
| c | 27.2357 ± 0.0019 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 4277.3 ± 0.5 Å3 |
| Cell temperature | 295 K |
| Ambient diffraction temperature | 295 K |
| Number of distinct elements | 4 |
| Space group number | 33 |
| Hermann-Mauguin space group symbol | P n a 21 |
| Hall space group symbol | P 2c -2n |
| Residual factor for all reflections | 0.0792 |
| Residual factor for significantly intense reflections | 0.0706 |
| Weighted residual factors for significantly intense reflections | 0.1815 |
| Weighted residual factors for all reflections included in the refinement | 0.1946 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.04 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 299904 (current) | 2025-06-02 | cif/1: Fixing Z values and formulae |
1571473.cif |
| 292887 | 2024-07-05 | cif/ Updating files of 1571472, 1571473, 1571474, 1571475, 1571476, 1571477, 1571478 Original log message: Adding full bibliography for 1571472--1571478.cif. |
1571473.cif |
| 291318 | 2024-04-23 | cif/ Adding structures of 1571472, 1571473, 1571474, 1571475, 1571476, 1571477, 1571478 via cif-deposit CGI script. |
1571473.cif |
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Users of the data should acknowledge the original authors of the
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