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Information card for entry 7235344
Preview
| Coordinates | 7235344.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Chemical name | 5-fluoro-1-(((4-methoxyphenyl)thio)methyl)indoline-2,3-dione |
|---|---|
| Formula | C16 H12 F N O3 S |
| Calculated formula | C16 H12 F N O3 S |
| Title of publication | Trifluoroacetic acid catalyzed thiophenylmethylation and thioalkylmethylation of lactams and phenols via domino three-component reaction in water |
| Authors of publication | Mudududdla, Ramesh; Sharma, Rohit; Guru, Santosh K.; Kushwaha, Manoj; Gupta, Ajai P.; Bharate, Sonali S.; Aravinda, Subrayashastry; Kant, Rajni; Bhushan, Shashi; Vishwakarma, Ram A.; Bharate, Sandip B. |
| Journal of publication | RSC Adv. |
| Year of publication | 2014 |
| Journal volume | 4 |
| Journal issue | 27 |
| Pages of publication | 14081 |
| a | 21.243 ± 0.005 Å |
| b | 5.558 ± 0.005 Å |
| c | 13.288 ± 0.005 Å |
| α | 90 ± 0.005° |
| β | 107.615 ± 0.005° |
| γ | 90 ± 0.005° |
| Cell volume | 1495.3 ± 1.5 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.1318 |
| Residual factor for significantly intense reflections | 0.0518 |
| Weighted residual factors for significantly intense reflections | 0.0584 |
| Weighted residual factors for all reflections included in the refinement | 0.078 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.92 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301866 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 7/23/ Each referenced PubChem compound corresponds to the full crystal structure. |
7235344.cif |
| 232707 | 2019-11-23 | cif/ Adding structures of 7235344 via cif-deposit CGI script. |
7235344.cif |
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Users of the data should acknowledge the original authors of the
structural data.