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Information card for entry 4036555
Preview
Coordinates | 4036555.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C25 H32 O3 |
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Calculated formula | C25 H32 O3 |
SMILES | O=C1C(=CC2(C=C1C(C)(C)C)[C@@H](c1ccccc1)[C@@H]2C(=O)OCC)C(C)(C)C.O=C1C(=CC2(C=C1C(C)(C)C)[C@H](c1ccccc1)[C@H]2C(=O)OCC)C(C)(C)C |
Title of publication | Spirocyclopropanation Reaction of para-Quinone Methides with Sulfonium Salts: The Synthesis of Spirocyclopropanyl para-Dienones. |
Authors of publication | Zhang, Xiang-Zhi; Du, Ji-Yuan; Deng, Yu-Hua; Chu, Wen-Dao; Yan, Xu; Yu, Ke-Yin; Fan, Chun-An |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2016 |
Journal volume | 81 |
Journal issue | 6 |
Pages of publication | 2598 - 2606 |
a | 12.4475 ± 0.0011 Å |
b | 10.8201 ± 0.0009 Å |
c | 17.2007 ± 0.0012 Å |
α | 90° |
β | 97.504 ± 0.009° |
γ | 90° |
Cell volume | 2296.8 ± 0.3 Å3 |
Cell temperature | 294.13 ± 0.1 K |
Ambient diffraction temperature | 294.13 ± 0.1 K |
Number of distinct elements | 3 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.1248 |
Residual factor for significantly intense reflections | 0.072 |
Weighted residual factors for significantly intense reflections | 0.1749 |
Weighted residual factors for all reflections included in the refinement | 0.224 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.036 |
Diffraction radiation wavelength | 0.7107 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4036555.html
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Users of the data should acknowledge the original authors of the
structural data.