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Information card for entry 7245578
Preview
| Coordinates | 7245578.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | 8m |
|---|---|
| Formula | C25 H24 N2 O4 |
| Calculated formula | C25 H24 N2 O4 |
| SMILES | O=C1N(C2CCCCC2)C(=O)[C@@]2(NC(=O)C[C@]12C(=O)c1ccccc1)c1ccccc1.O=C1N(C2CCCCC2)C(=O)[C@]2(NC(=O)C[C@@]12C(=O)c1ccccc1)c1ccccc1 |
| Title of publication | Base-selective access to highly functionalized heterocycles from multicomponent Ugi adducts |
| Authors of publication | González-Saiz, Beatriz; Pertejo, Pablo; Peña-Calleja, Pablo; Mielczarek, Marcin; Hermosilla, Tomás; Carreira-Barral, Israel; de Miguel, Olivia; Rodríguez-Vidal, Francisco; Quesada, Roberto; García-Valverde, María |
| Journal of publication | Green Chemistry |
| Year of publication | 2022 |
| Journal volume | 24 |
| Journal issue | 20 |
| Pages of publication | 7988 - 7995 |
| a | 8.9559 ± 0.0003 Å |
| b | 11.0368 ± 0.0004 Å |
| c | 12.1951 ± 0.0005 Å |
| α | 90.73 ± 0.001° |
| β | 106.001 ± 0.001° |
| γ | 100.401 ± 0.001° |
| Cell volume | 1137.18 ± 0.07 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0707 |
| Residual factor for significantly intense reflections | 0.0605 |
| Weighted residual factors for significantly intense reflections | 0.1691 |
| Weighted residual factors for all reflections included in the refinement | 0.1716 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.136 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 278987 (current) | 2022-11-07 | cif/ Updating files of 7245575, 7245576, 7245577, 7245578, 7245579 Original log message: Adding full bibliography for 7245575--7245579.cif. |
7245578.cif |
| 278259 | 2022-09-29 | cif/ Adding structures of 7245575, 7245576, 7245577, 7245578, 7245579 via cif-deposit CGI script. |
7245578.cif |
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Users of the data should acknowledge the original authors of the
structural data.