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Information card for entry 4124335
Preview
| Coordinates | 4124335.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C41 H47 N O4 Si |
|---|---|
| Calculated formula | C41 H47 N O4 Si |
| SMILES | [Si](OC1=C(C=C(CCCCC1)c1ccc(N(=O)=O)cc1)COC(c1ccccc1)(c1ccccc1)c1ccccc1)(C)(C)C(C)(C)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 | 14.5626 ± 0.0006 Å |
| b | 11.2082 ± 0.0004 Å |
| c | 22.4363 ± 0.0007 Å |
| α | 90° |
| β | 104.211 ± 0.0012° |
| γ | 90° |
| Cell volume | 3550 ± 0.2 Å3 |
| Cell temperature | 93 K |
| Ambient diffraction temperature | 93 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for significantly intense reflections | 0.0369 |
| Weighted residual factors for all reflections included in the refinement | 0.0937 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.043 |
| 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. |
4124335.cif |
| 154237 | 2015-09-04 | cif/ Adding structures of 4124335 via cif-deposit CGI script. |
4124335.cif |
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Users of the data should acknowledge the original authors of the
structural data.