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Information card for entry 1518401
Preview
| Coordinates | 1518401.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C22 H14 Cl N |
|---|---|
| Calculated formula | C22 H14 Cl N |
| SMILES | Clc1c2ncc3c(c2ccc1)c1ccccc1C3c1ccccc1 |
| Title of publication | Iron-mediated carboarylation/cyclization of propargylanilines with acetals: a concise route to indeno[2,1-c]quinolines. |
| Authors of publication | Yang, Qin; Xu, Tongyu; Yu, Zhengkun |
| Journal of publication | Organic letters |
| Year of publication | 2014 |
| Journal volume | 16 |
| Journal issue | 24 |
| Pages of publication | 6310 - 6313 |
| a | 9.9351 ± 0.0015 Å |
| b | 10.2398 ± 0.0015 Å |
| c | 15.259 ± 0.002 Å |
| α | 90° |
| β | 95.033 ± 0.003° |
| γ | 90° |
| Cell volume | 1546.4 ± 0.4 Å3 |
| Cell temperature | 140 ± 2 K |
| Ambient diffraction temperature | 140 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0614 |
| Residual factor for significantly intense reflections | 0.0457 |
| Weighted residual factors for significantly intense reflections | 0.1206 |
| Weighted residual factors for all reflections included in the refinement | 0.1318 |
| 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. |
1518401.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. |
1518401.cif |
| 131534 | 2015-02-08 | cif/ Updating files of 1518400, 1518401, 1518402 Original log message: Adding full bibliography for 1518400--1518402.cif. |
1518401.cif |
| 128473 | 2014-12-07 | cif/ Adding structures of 1518400, 1518401, 1518402 via cif-deposit CGI script. |
1518401.cif |
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Users of the data should acknowledge the original authors of the
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