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Information card for entry 1518419
Preview
| Coordinates | 1518419.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C25 H22 N2 O |
|---|---|
| Calculated formula | C25 H22 N2 O |
| SMILES | c1(c2ccccc2c2ccccc2n1)CC1ON=C(C1(C)C)c1ccccc1 |
| Title of publication | Synthesis of isoxazoline-functionalized phenanthridines via iminoxyl radical-participated cascade sequence. |
| Authors of publication | Yang, Xiu-Long; Chen, Fei; Zhou, Neng-Neng; Yu, Wei; Han, Bing |
| Journal of publication | Organic letters |
| Year of publication | 2014 |
| Journal volume | 16 |
| Journal issue | 24 |
| Pages of publication | 6476 - 6479 |
| a | 17.688 ± 0.0016 Å |
| b | 10.0067 ± 0.0007 Å |
| c | 21.9732 ± 0.0018 Å |
| α | 90° |
| β | 100.303 ± 0.008° |
| γ | 90° |
| Cell volume | 3826.5 ± 0.5 Å3 |
| Cell temperature | 296 ± 1 K |
| Ambient diffraction temperature | 296 ± 1 K |
| Number of distinct elements | 4 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | I 1 2/c 1 |
| Hall space group symbol | -I 2yc |
| Residual factor for all reflections | 0.1035 |
| Residual factor for significantly intense reflections | 0.0712 |
| Weighted residual factors for significantly intense reflections | 0.1743 |
| Weighted residual factors for all reflections included in the refinement | 0.2006 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.038 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301776 (current) | 2025-08-18 | Add cross-references to PubChem compounds in COD range 1/51 Each referenced PubChem compound corresponds to the full crystal structure. |
1518419.cif |
| 194547 | 2017-03-27 | cif/1 Fixing some wrong Z values and formulae |
1518419.cif |
| 176729 | 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. |
1518419.cif |
| 131517 | 2015-02-08 | cif/ Updating files of 1518419 Original log message: Adding full bibliography for 1518419.cif. |
1518419.cif |
| 128688 | 2014-12-13 | cif/ Adding structures of 1518419 via cif-deposit CGI script. |
1518419.cif |
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Users of the data should acknowledge the original authors of the
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