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Information card for entry 1506247
Preview
| Coordinates | 1506247.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider; PubChem |
| Formula | C23 H18 N2 O4 |
|---|---|
| Calculated formula | C23 H18 N2 O4 |
| SMILES | O(c1cc2C(=C(\c3ccccc3)c3c(N(=O)=O)cccc3)\C(=O)N(c2cc1)C)C |
| Title of publication | Synthesis of 3-(diarylmethylenyl)oxindole by a palladium-catalyzed domino carbopalladation/C-H activation/C-C bond-forming process. |
| Authors of publication | Pinto, Artur; Neuville, Luc; Retailleau, Pascal; Zhu, Jieping |
| Journal of publication | Organic letters |
| Year of publication | 2006 |
| Journal volume | 8 |
| Journal issue | 21 |
| Pages of publication | 4927 - 4930 |
| a | 9.712 ± 0.005 Å |
| b | 27.09 ± 0.005 Å |
| c | 7.598 ± 0.005 Å |
| α | 90° |
| β | 103.46 ± 0.005° |
| γ | 90° |
| Cell volume | 1944.1 ± 1.7 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.1316 |
| Residual factor for significantly intense reflections | 0.119 |
| Weighted residual factors for significantly intense reflections | 0.3701 |
| Weighted residual factors for all reflections included in the refinement | 0.3792 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.168 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301775 (current) | 2025-08-18 | Add cross-references to PubChem compounds in COD range 1/50 Each referenced PubChem compound corresponds to the full crystal structure. |
1506247.cif |
| 201954 | 2017-10-13 | cif/ Marking COD entries in range 1 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
1506247.cif |
| 176729 | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1506247.cif |
| 120071 | 2014-07-11 | Adding DOIs to range 1 structures. | 1506247.cif |
| 48120 | 2012-03-26 | ../uploads/cif-deposit/cod/cif Adding structures of 1506247 via cif-deposit CGI script. |
1506247.cif |
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Users of the data should acknowledge the original authors of the
structural data.