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Information card for entry 7158469
Preview
| Coordinates | 7158469.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C48 H98.6 Cl8 N12 O11.3 |
|---|---|
| Calculated formula | C48 H80 Cl8.001 N12 O11.347 |
| Title of publication | Controlling chirality in the synthesis of 4 + 4 diastereomeric amine macrocycles derived from <i>trans</i>-1,2-diaminocyclopentane and 2,6-diformylpyridine. |
| Authors of publication | Fedorowicz, Dominika; Banach, Sylwia; Koza, Patrycja; Frydrych, Rafał; Ślepokura, Katarzyna; Gregoliński, Janusz |
| Journal of publication | Organic & biomolecular chemistry |
| Year of publication | 2022 |
| Journal volume | 20 |
| Journal issue | 5 |
| Pages of publication | 1080 - 1094 |
| a | 13.082 ± 0.002 Å |
| b | 13.444 ± 0.002 Å |
| c | 20.564 ± 0.003 Å |
| α | 105.35 ± 0.02° |
| β | 108.36 ± 0.02° |
| γ | 93.77 ± 0.02° |
| Cell volume | 3265.9 ± 1 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0706 |
| Residual factor for significantly intense reflections | 0.0608 |
| Weighted residual factors for significantly intense reflections | 0.1643 |
| Weighted residual factors for all reflections included in the refinement | 0.1702 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.02 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 272757 (current) | 2022-02-04 | cif/ Updating files of 7158467, 7158468, 7158469, 7158470 Original log message: Adding full bibliography for 7158467--7158470.cif. |
7158469.cif |
| 271614 | 2021-12-24 | cif/ Adding structures of 7158467, 7158468, 7158469, 7158470 via cif-deposit CGI script. |
7158469.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
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.
Users of the data should acknowledge the original authors of the
structural data.