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Information card for entry 7220703
Preview
| Coordinates | 7220703.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C19 H16 N2 O2 |
|---|---|
| Calculated formula | C19 H16 N2 O2 |
| SMILES | O=C(c1c2c(n(C3CC3)c1C)c1ccccc1c(O)c2C#N)C |
| Title of publication | Synthesis of biologically important, fluorescence active 5-hydroxy benzo[g]indoles through four-component domino condensations and their fluorescence “Turn-off” sensing of Fe(III) ions |
| Authors of publication | Pramanik, Animesh; Maity, Subhendu; Kundu, Ashis |
| Journal of publication | RSC Adv. |
| Year of publication | 2015 |
| a | 9.4136 ± 0.0007 Å |
| b | 9.9725 ± 0.0007 Å |
| c | 10.1281 ± 0.0013 Å |
| α | 111.742 ± 0.003° |
| β | 96.696 ± 0.003° |
| γ | 116.846 ± 0.002° |
| Cell volume | 740.3 ± 0.13 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0737 |
| Residual factor for significantly intense reflections | 0.0551 |
| Weighted residual factors for significantly intense reflections | 0.1347 |
| Weighted residual factors for all reflections included in the refinement | 0.1494 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.015 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301865 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/22/ Each referenced PubChem compound corresponds to the full crystal structure. |
7220703.cif |
| 176428 | 2016-02-13 | Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively. |
7220703.cif |
| 138982 | 2015-06-09 | cif/ Adding structures of 7220702, 7220703, 7220704, 7220705 via cif-deposit CGI script. |
7220703.cif |
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Users of the data should acknowledge the original authors of the
structural data.