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Information card for entry 7158005
Preview
| Coordinates | 7158005.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C26 H29 Cl N4 O4 |
|---|---|
| Calculated formula | C26 H29 Cl N4 O4 |
| SMILES | Clc1ccc(cc1)c1noc(NCC)c1[C@@]1(NC(=O)OC(C)(C)C)c2ccccc2N(C1=O)CC |
| Title of publication | An enantioselective aza-Friedel-Crafts reaction of 5-aminoisoxazoles with isatin-derived <i>N</i>-Boc ketimines. |
| Authors of publication | Liu, Hui; Yan, Yingkun; Li, Min; Zhang, Xiaomei |
| Journal of publication | Organic & biomolecular chemistry |
| Year of publication | 2021 |
| Journal volume | 19 |
| Journal issue | 17 |
| Pages of publication | 3820 - 3824 |
| a | 9.2734 ± 0.0002 Å |
| b | 12.5056 ± 0.0003 Å |
| c | 22.5981 ± 0.0007 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2620.69 ± 0.12 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0522 |
| Residual factor for significantly intense reflections | 0.0436 |
| Weighted residual factors for significantly intense reflections | 0.1121 |
| Weighted residual factors for all reflections included in the refinement | 0.1208 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.037 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Duplicate of | 7158004 |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 287519 (current) | 2023-11-10 | cod/ (saulius@tasmanijos-velnias) Marking up COD duplicates based on automatic matching in: Path: outputs/cod-new-duplicates-expanded.tsv Name: cod-new-duplicates-expanded.tsv Working Copy Root Path: /home/saulius/struct/COD-crude-data URL: svn+ssh://www.crystallography.net/home/coder/svn-repositories/COD-crude-data/archives/2021/COD/outputs/cod-new-duplicates-expanded.tsv Relative URL: ^/archives/2021/COD/outputs/cod-new-duplicates-expanded.tsv Repository Root: svn+ssh://www.crystallography.net/home/coder/svn-repositories/COD-crude-data Repository UUID: f03e6fd5-de02-4a89-aa47-d94ad8425ebd Revision: 7431 Node Kind: file Schedule: normal Last Changed Author: saulius Last Changed Rev: 7431 Last Changed Date: 2023-11-10 16:55:42 +0200 (Fri, 10 Nov 2023) Text Last Updated: 2023-11-10 16:31:20 +0200 (Fri, 10 Nov 2023) Checksum: 0c965281867bf38581b3e32df20963a23950bd46 |
7158005.cif |
| 266157 | 2021-06-05 | cif/ Updating files of 7158004, 7158005 Original log message: Adding full bibliography for 7158004--7158005.cif. |
7158005.cif |
| 263510 | 2021-04-01 | cif/ Adding structures of 7158004, 7158005 via cif-deposit CGI script. |
7158005.cif |
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