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Information card for entry 7155064
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| Coordinates | 7155064.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Chemical name | ethyl 4-oxo-3-phenyl-1-(thiophen-2-yl)-3-(thiophen-3-yl)-3,4-dihydronaphthalene-2-carboxylate |
|---|---|
| Formula | C27 H20 O3 S2 |
| Calculated formula | C27 H20 O3 S2 |
| Title of publication | Synthetic transformation of 1,3-diarylisobenzofuran-DMAD adducts: a facile preparation of tri-substituted α-naphthols. |
| Authors of publication | Karunakaran, Jayachandran; Nandakumar, Meganathan; Senthil Kumar, Natarajan; Mohanakrishnan, Arasambattu K. |
| Journal of publication | Organic & biomolecular chemistry |
| Year of publication | 2016 |
| Journal volume | 14 |
| Journal issue | 18 |
| Pages of publication | 4247 - 4259 |
| a | 12.1263 ± 0.0011 Å |
| b | 11.8009 ± 0.0011 Å |
| c | 16.0657 ± 0.0013 Å |
| α | 90° |
| β | 100.181 ± 0.002° |
| γ | 90° |
| Cell volume | 2262.8 ± 0.3 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 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 | 0.1019 |
| Residual factor for significantly intense reflections | 0.0608 |
| Weighted residual factors for significantly intense reflections | 0.1233 |
| Weighted residual factors for all reflections included in the refinement | 0.1475 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.093 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301861 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/15/ Each referenced PubChem compound corresponds to the full crystal structure. |
7155064.cif |
| 288505 | 2023-12-22 | Corrected misspelt data names in multiple entries using the 'cif_correct_tags' program and a data name replacement file from cod-tools revision 9880. This change affected only the misspelt variants of the '_iucr_refine_instructions_details' data name. |
7155064.cif |
| 182776 | 2016-05-06 | cif/ Updating files of 7155063, 7155064, 7155065, 7155066, 7155067 Original log message: Adding full bibliography for 7155063--7155067.cif. |
7155064.cif |
| 181845 | 2016-04-06 | cif/ Adding structures of 7155063, 7155064, 7155065, 7155066, 7155067 via cif-deposit CGI script. |
7155064.cif |
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Users of the data should acknowledge the original authors of the
structural data.