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Information card for entry 4106261
Preview
| Coordinates | 4106261.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C37 H48 O4 Si |
|---|---|
| Calculated formula | C37 H48 O4 Si |
| SMILES | [Si](O[C@@H]1[C@]2(CC[C@H]3[C@H](C)C4(OCCCO4)[C@@H]4C(=C23)[C@](CCC4=O)(C)C1)C)(c1ccccc1)(c1ccccc1)C(C)(C)C.[Si](O[C@@H]1C[C@]2(CCC(=O)[C@@H]3C2=C2[C@]1(CC[C@@H]2[C@@H](C)C13OCCCO1)C)C)(c1ccccc1)(C(C)(C)C)c1ccccc1 |
| Title of publication | A Concise, Stereocontrolled Total Synthesis of Rippertenol |
| Authors of publication | Scott A. Snyder; Daniel A. Wespe; J. Marian von Hof |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2011 |
| Journal volume | 133 |
| Pages of publication | 8850 - 8853 |
| a | 8.8772 ± 0.0013 Å |
| b | 17.309 ± 0.003 Å |
| c | 42.62 ± 0.006 Å |
| α | 90° |
| β | 95.771 ± 0.002° |
| γ | 90° |
| Cell volume | 6515.6 ± 1.7 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 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 | 0.1555 |
| Residual factor for significantly intense reflections | 0.0608 |
| Weighted residual factors for significantly intense reflections | 0.1004 |
| Weighted residual factors for all reflections included in the refinement | 0.1305 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.002 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301832 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/10/ Each referenced PubChem compound corresponds to the full crystal structure. |
4106261.cif |
| 178808 | 2016-03-21 | cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/62. |
4106261.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4106261.cif |
| 53059 | 2012-04-17 | cif/ Adding structures of 4106261 via cif-deposit CGI script. |
4106261.cif |
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Users of the data should acknowledge the original authors of the
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