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Information card for entry 4027850
Preview
| Coordinates | 4027850.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | Alkyidene Furan |
|---|---|
| Chemical name | (Z)-N-(2-(5,5-diphenyldihydrofuran-3(2H)-ylidene)ethyl) -4-methylbenzenesulfonamide |
| Formula | C25 H25 N O3 S |
| Calculated formula | C25 H25 N O3 S |
| SMILES | c1ccc(C2(CC(=C\CNS(=O)(=O)c3ccc(C)cc3)\CO2)c2ccccc2)cc1 |
| Title of publication | Electrophile-Induced C-C Bond Activation of Vinylcyclopropanes for the Synthesis of Z-Alkylidenetetrahydrofurans |
| Authors of publication | Venkataraman Ganesh; Taraknath Kundu; Srinivasan Chandrasekaran |
| Journal of publication | Journal of Organic Chemistry |
| Year of publication | 2013 |
| Journal volume | 78 |
| Pages of publication | 380 - 399 |
| a | 12.3722 ± 0.0006 Å |
| b | 8.8919 ± 0.0004 Å |
| c | 20.1596 ± 0.001 Å |
| α | 90° |
| β | 92.913 ± 0.003° |
| γ | 90° |
| Cell volume | 2214.94 ± 0.18 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.1425 |
| Residual factor for significantly intense reflections | 0.0564 |
| Weighted residual factors for significantly intense reflections | 0.1335 |
| Weighted residual factors for all reflections included in the refinement | 0.1572 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.959 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301812 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 4/02/ Each referenced PubChem compound corresponds to the full crystal structure. |
4027850.cif |
| 178457 | 2016-03-21 | cif/4/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/02/78. |
4027850.cif |
| 93891 | 2014-01-20 | cif/ Adding structures of 4027850 via cif-deposit CGI script. |
4027850.cif |
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Users of the data should acknowledge the original authors of the
structural data.