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Information card for entry 4106333
Preview
| Coordinates | 4106333.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C31 H44 O Si |
|---|---|
| Calculated formula | C31 H44 O Si |
| SMILES | [Si](O[C@H]1C(=C)[C@@H]2CC[C@]3(c4ccc5ccccc5c4CC[C@@H]3[C@]2(CC1)C)C)(C)(C)C(C)(C)C |
| Title of publication | A Powerful New Construction of Complex Chiral Polycycles by an Indium(III)-Catalyzed Cationic Cascade |
| Authors of publication | Surendra, Karavadhi; Qiu, Wenwei; Corey, E. J. |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2011 |
| Journal volume | 133 |
| Journal issue | 25 |
| Pages of publication | 9724 - 9726 |
| a | 7.4228 ± 0.0013 Å |
| b | 17.014 ± 0.003 Å |
| c | 22.026 ± 0.004 Å |
| α | 90° |
| β | 96.464 ± 0.003° |
| γ | 90° |
| Cell volume | 2764 ± 0.9 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0566 |
| Residual factor for significantly intense reflections | 0.0428 |
| Weighted residual factors for significantly intense reflections | 0.0893 |
| Weighted residual factors for all reflections included in the refinement | 0.0959 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.02 |
| 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. |
4106333.cif |
| 219273 | 2019-10-11 | cif/4/ Updated bibliographic information in entries 4106333, 4121883. |
4106333.cif |
| 178809 | 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 4/10/63. |
4106333.cif |
| 107638 | 2014-03-21 | cif/4 Fixing some wrong formula/Z values |
4106333.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4106333.cif |
| 53132 | 2012-04-17 | cif/ Adding structures of 4106333 via cif-deposit CGI script. |
4106333.cif |
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Users of the data should acknowledge the original authors of the
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