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Information card for entry 4124334
Preview
| Coordinates | 4124334.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C30 H41 N O5 S Si |
|---|---|
| Calculated formula | C30 H41 N O5 S Si |
| SMILES | S(=O)(=O)(N1c2c([C@H]3CCCCC(=C(C(=O)OCC)[C@H]13)O[Si](C)(C)C(C)(C)C)cccc2)c1ccc(cc1)C |
| Title of publication | An Arylative Ring Expansion Cascade of Fused Cyclobutenes via Short-Lived Intermediates with Planar Chirality. |
| Authors of publication | Arichi, Norihito; Yamada, Ken-Ichi; Yamaoka, Yousuke; Takasu, Kiyosei |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2015 |
| Journal volume | 137 |
| Journal issue | 30 |
| Pages of publication | 9579 - 9582 |
| a | 13.3551 ± 0.0011 Å |
| b | 13.3626 ± 0.0009 Å |
| c | 18.1872 ± 0.0012 Å |
| α | 106.141 ± 0.008° |
| β | 106.275 ± 0.008° |
| γ | 93.457 ± 0.007° |
| Cell volume | 2959 ± 0.4 Å3 |
| Cell temperature | 93 K |
| Ambient diffraction temperature | 93 K |
| Number of distinct elements | 6 |
| Space group number | 1 |
| Hermann-Mauguin space group symbol | P 1 |
| Hall space group symbol | P 1 |
| Residual factor for all reflections | 0.0762 |
| Residual factor for significantly intense reflections | 0.0678 |
| Weighted residual factors for significantly intense reflections | 0.1705 |
| Weighted residual factors for all reflections included in the refinement | 0.1794 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.034 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301834 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/12/ Each referenced PubChem compound corresponds to the full crystal structure. |
4124334.cif |
| 154236 | 2015-09-04 | cif/ Adding structures of 4124334 via cif-deposit CGI script. |
4124334.cif |
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Users of the data should acknowledge the original authors of the
structural data.