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Information card for entry 4116433
Preview
| Coordinates | 4116433.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C20 H23 N O3 |
|---|---|
| Calculated formula | C20 H23 N O3 |
| Title of publication | Application of Reactive Enols in Synthesis: A Versatile, Efficient, and Stereoselective Construction of the Welwitindolinone Carbon Skeleton |
| Authors of publication | John L. Wood; Alexandra A. Holubec; Brian M. Stoltz; Matthew M. Weiss; Julie A. Dixon; Brian D. Doan; Mohammed F. Shamji; Jennifer M. Chen; Timothy P. Heffron |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 1999 |
| Journal volume | 121 |
| Pages of publication | 6326 - 6327 |
| a | 8.19 ± 0.0004 Å |
| b | 13.932 ± 0.001 Å |
| c | 16.002 ± 0.001 Å |
| α | 90° |
| β | 99.271 ± 0.003° |
| γ | 90° |
| Cell volume | 1802.03 ± 0.19 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 significantly intense reflections | 0.0607 |
| Weighted residual factors for significantly intense reflections | 0.0594 |
| Goodness-of-fit parameter for significantly intense reflections | 2.558 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKalpha |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301833 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/11/ Each referenced PubChem compound corresponds to the full crystal structure. |
4116433.cif |
| 176467 | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4116433.cif |
| 120077 | 2014-07-12 | Adding DOIs to range 4/11 structures. | 4116433.cif |
| 71434 | 2013-01-20 | cif/ Adding structures of 4116433 via cif-deposit CGI script. |
4116433.cif |
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Users of the data should acknowledge the original authors of the
structural data.