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Information card for entry 1544167
Preview
| Coordinates | 1544167.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C22 H16 Cl N O2 |
|---|---|
| Calculated formula | C22 H16 Cl N O2 |
| SMILES | Clc1ccc(c2c3c(n(c(=O)c2c2ccc(O)cc2)C)cccc3)cc1 |
| Title of publication | Metathesis Reaction of Diazo Compounds and para-Quinone Methides for C-C Double Bond Formation: Synthesis of Tetrasubstituted Alkenes and Quinolinones. |
| Authors of publication | Huang, Bo; Shen, Yangyong; Mao, Zhenjun; Liu, Yu; Cui, Sunliang |
| Journal of publication | Organic letters |
| Year of publication | 2016 |
| Journal volume | 18 |
| Journal issue | 19 |
| Pages of publication | 4888 - 4891 |
| a | 13.002 ± 0.004 Å |
| b | 10.771 ± 0.004 Å |
| c | 13.596 ± 0.004 Å |
| α | 90° |
| β | 109.47 ± 0.005° |
| γ | 90° |
| Cell volume | 1795.2 ± 1 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0873 |
| Residual factor for significantly intense reflections | 0.0459 |
| Weighted residual factors for significantly intense reflections | 0.1049 |
| Weighted residual factors for all reflections included in the refinement | 0.1262 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.975 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301779 (current) | 2025-08-18 | Add cross-references to PubChem compounds in COD range 1/54 Each referenced PubChem compound corresponds to the full crystal structure. |
1544167.cif |
| 187979 | 2016-11-06 | cif/ Updating files of 1544166, 1544167, 1544168, 1544169, 1544170 Original log message: Adding full bibliography for 1544166--1544170.cif. |
1544167.cif |
| 186665 | 2016-09-21 | cif/ Adding structures of 1544167 via cif-deposit CGI script. |
1544167.cif |
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Users of the data should acknowledge the original authors of the
structural data.