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Information card for entry 1507267
Preview
| Coordinates | 1507267.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider; PubChem |
| Formula | C33 H42 N2 O3 Si |
|---|---|
| Calculated formula | C33 H42 N2 O3 Si |
| SMILES | c1(c(c2c(cccc2n1C(=O)OC(C)(C)C)OC)CCN(Cc1ccccc1)Cc1ccccc1)[Si](C)(C)C |
| Title of publication | Preparation of the 4-hydroxytryptamine scaffold via palladium-catalyzed cyclization: a practical and versatile synthesis of psilocin. |
| Authors of publication | Gathergood, Nicholas; Scammells, Peter J. |
| Journal of publication | Organic letters |
| Year of publication | 2003 |
| Journal volume | 5 |
| Journal issue | 6 |
| Pages of publication | 921 - 923 |
| a | 10.8305 ± 0.0001 Å |
| b | 11.1512 ± 0.0002 Å |
| c | 13.633 ± 0.0002 Å |
| α | 91.503 ± 0.001° |
| β | 108.014 ± 0.001° |
| γ | 97.261 ± 0.001° |
| Cell volume | 1549.51 ± 0.04 Å3 |
| Cell temperature | 123 ± 2 K |
| Ambient diffraction temperature | 123 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0736 |
| Residual factor for significantly intense reflections | 0.0415 |
| Weighted residual factors for significantly intense reflections | 0.0884 |
| Weighted residual factors for all reflections included in the refinement | 0.0966 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.051 |
| Diffraction radiation probe | x-ray |
| 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. |
1507267.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. |
1507267.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. |
1507267.cif |
| 120071 | 2014-07-11 | Adding DOIs to range 1 structures. | 1507267.cif |
| 53780 | 2012-04-20 | cif/ Adding structures of 1507267 via cif-deposit CGI script. |
1507267.cif |
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Users of the data should acknowledge the original authors of the
structural data.