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Information card for entry 1508627
Preview
| Coordinates | 1508627.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider; PubChem |
| Formula | C22 H17 F N2 O |
|---|---|
| Calculated formula | C22 H17 F N2 O |
| SMILES | Fc1cc2c3C(=O)N(C4=CC(Cc(nc2cc1)c34)(C)C)c1ccccc1 |
| Title of publication | An efficient synthesis of pyrrolo[2,3,4-kl]acridin-1-one derivatives catalyzed by L-proline. |
| Authors of publication | Wang, Huiyuan; Li, Lili; Lin, Wei; Xu, Pan; Huang, Zhibin; Shi, Daqing |
| Journal of publication | Organic letters |
| Year of publication | 2012 |
| Journal volume | 14 |
| Journal issue | 17 |
| Pages of publication | 4598 - 4601 |
| a | 21.5 ± 0.005 Å |
| b | 9.8086 ± 0.0019 Å |
| c | 18.115 ± 0.004 Å |
| α | 90° |
| β | 116.131 ± 0.004° |
| γ | 90° |
| Cell volume | 3429.7 ± 1.3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0638 |
| Residual factor for significantly intense reflections | 0.057 |
| Weighted residual factors for significantly intense reflections | 0.1292 |
| Weighted residual factors for all reflections included in the refinement | 0.1338 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.058 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301775 (current) | 2025-08-18 | Add cross-references to PubChem compounds in COD range 1/50 Each referenced PubChem compound corresponds to the full crystal structure. |
1508627.cif |
| 201954 | 2017-10-13 | cif/ Marking COD entries in range 1 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
1508627.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. |
1508627.cif |
| 91932 | 2013-12-28 | cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs. |
1508627.cif |
| 72117 | 2013-01-21 | cif/ Adding structures of 1508627 via cif-deposit CGI script. |
1508627.cif |
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Users of the data should acknowledge the original authors of the
structural data.