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Information card for entry 1507720
Preview
| Coordinates | 1507720.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | 12089a |
|---|---|
| Formula | C19 H17 N O5 |
| Calculated formula | C19 H17 N O5 |
| SMILES | O[C@H]1[C@H]2[C@H](NCc3c4OCOc4ccc23)c2c(C1)cc1OCOc1c2.O[C@@H]1[C@@H]2[C@@H](NCc3c4OCOc4ccc23)c2c(C1)cc1OCOc1c2 |
| Title of publication | Total Syntheses of Chelidonine and Norchelidonine via an Enamide-Benzyne-[2 + 2] Cycloaddition Cascade. |
| Authors of publication | Ma, Zhi-Xiong; Feltenberger, John B.; Hsung, Richard P. |
| Journal of publication | Organic letters |
| Year of publication | 2012 |
| Journal volume | 14 |
| Journal issue | 11 |
| Pages of publication | 2742 - 2745 |
| a | 7.3309 ± 0.0007 Å |
| b | 9.447 ± 0.0009 Å |
| c | 11.4605 ± 0.0011 Å |
| α | 82.166 ± 0.001° |
| β | 78 ± 0.001° |
| γ | 82.39 ± 0.001° |
| Cell volume | 764.66 ± 0.13 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 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 | 0.0548 |
| Residual factor for significantly intense reflections | 0.0418 |
| Weighted residual factors for significantly intense reflections | 0.1033 |
| Weighted residual factors for all reflections included in the refinement | 0.1121 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.054 |
| 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. |
1507720.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. |
1507720.cif |
| 91932 | 2013-12-28 | cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs. |
1507720.cif |
| 59812 | 2012-06-13 | cif/ Adding structures of 1507720 via cif-deposit CGI script. |
1507720.cif |
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Users of the data should acknowledge the original authors of the
structural data.