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Information card for entry 1507030
Preview
| Coordinates | 1507030.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C17 H17 N O2 |
|---|---|
| Calculated formula | C17 H17 N O2 |
| SMILES | C1(=O)C(c2c(cccc2OC)N1C)Cc1ccccc1 |
| Title of publication | One-pot homolytic aromatic substitutions/HWE olefinations under microwave conditions for the formation of a small oxindole library. |
| Authors of publication | Teichert, Antje; Jantos, Katja; Harms, Klaus; Studer, Armido |
| Journal of publication | Organic letters |
| Year of publication | 2004 |
| Journal volume | 6 |
| Journal issue | 20 |
| Pages of publication | 3477 - 3480 |
| a | 8.3974 ± 0.0015 Å |
| b | 9.0952 ± 0.0013 Å |
| c | 10.0046 ± 0.0015 Å |
| α | 95.733 ± 0.017° |
| β | 111.551 ± 0.018° |
| γ | 97.026 ± 0.019° |
| Cell volume | 696.6 ± 0.2 Å3 |
| Cell temperature | 193 ± 2 K |
| Ambient diffraction temperature | 193 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.076 |
| Residual factor for significantly intense reflections | 0.039 |
| Weighted residual factors for significantly intense reflections | 0.0831 |
| Weighted residual factors for all reflections included in the refinement | 0.093 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.849 |
| Diffraction radiation wavelength | 0.71073 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. |
1507030.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. |
1507030.cif |
| 120071 | 2014-07-11 | Adding DOIs to range 1 structures. | 1507030.cif |
| 51624 | 2012-04-07 | ../uploads/cif-deposit/cod/cif Adding structures of 1507030 via cif-deposit CGI script. |
1507030.cif |
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Users of the data should acknowledge the original authors of the
structural data.