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Information card for entry 1518576
Preview
| Coordinates | 1518576.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C25 H21 N5 O4 |
|---|---|
| Calculated formula | C25 H21 N5 O4 |
| SMILES | O[C@]12[C@](N=N#N)(c3ccccc3)[C@@H](O)c3ccccc3N1C(=O)CN(C2=O)Cc1ccccc1.O[C@@]12[C@@](N=N#N)(c3ccccc3)[C@H](O)c3ccccc3N1C(=O)CN(C2=O)Cc1ccccc1 |
| Title of publication | Intramolecular Cycloadditions of Photogenerated Azaxylylenes with Oxadiazoles Provide Direct Access to Versatile Polyheterocyclic Ketopiperazines Containing a Spiro-oxirane Moiety. |
| Authors of publication | Kumar, N. N. Bhuvan; Kuznetsov, Dmitry M.; Kutateladze, Andrei G. |
| Journal of publication | Organic letters |
| Year of publication | 2015 |
| Journal volume | 17 |
| Journal issue | 3 |
| Pages of publication | 438 - 441 |
| a | 15.0058 ± 0.0002 Å |
| b | 16.0652 ± 0.0002 Å |
| c | 9.235 ± 0.0001 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2226.29 ± 0.05 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 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 | 0.0424 |
| Residual factor for significantly intense reflections | 0.0393 |
| Weighted residual factors for significantly intense reflections | 0.1126 |
| Weighted residual factors for all reflections included in the refinement | 0.1165 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.045 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176729 (current) | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1518576.cif |
| 132998 | 2015-03-04 | cif/ Updating files of 1518573, 1518574, 1518575, 1518576, 1518577, 1518578, 1518579, 1518580 Original log message: Adding full bibliography for 1518573--1518580.cif. |
1518576.cif |
| 129959 | 2015-01-17 | cif/ Adding structures of 1518573, 1518574, 1518575, 1518576, 1518577, 1518578, 1518579, 1518580 via cif-deposit CGI script. |
1518576.cif |
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Users of the data should acknowledge the original authors of the
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