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Information card for entry 7155065
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| Coordinates | 7155065.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Chemical name | 2,3-dimethyl 1-oxo-2(pyren-4-yl)-4-(thiophen-2-yl)-1,2-dihydronaphthalene-2,3-dicarboxylate |
|---|---|
| Formula | C34 H22 O5 S |
| Calculated formula | C34 H22 O5 S |
| 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 | 10.9268 ± 0.001 Å |
| b | 18.967 ± 0.0014 Å |
| c | 12.2628 ± 0.0009 Å |
| α | 90° |
| β | 93.03 ± 0.002° |
| γ | 90° |
| Cell volume | 2537.9 ± 0.4 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/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0611 |
| Residual factor for significantly intense reflections | 0.0387 |
| Weighted residual factors for significantly intense reflections | 0.0888 |
| Weighted residual factors for all reflections included in the refinement | 0.1022 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.037 |
| 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. |
7155065.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. |
7155065.cif |
| 182776 | 2016-05-06 | cif/ Updating files of 7155063, 7155064, 7155065, 7155066, 7155067 Original log message: Adding full bibliography for 7155063--7155067.cif. |
7155065.cif |
| 181845 | 2016-04-06 | cif/ Adding structures of 7155063, 7155064, 7155065, 7155066, 7155067 via cif-deposit CGI script. |
7155065.cif |
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Users of the data should acknowledge the original authors of the
structural data.