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Information card for entry 4036556
Preview
Coordinates | 4036556.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C25 H34 O4 |
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Calculated formula | C25 H34 O4 |
SMILES | Oc1c(cc(cc1C(C)(C)C)[C@@H]([C@@H](O)c1ccccc1)C(=O)OCC)C(C)(C)C.Oc1c(cc(cc1C(C)(C)C)[C@H]([C@H](O)c1ccccc1)C(=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 | 10.4772 ± 0.0012 Å |
b | 37.395 ± 0.005 Å |
c | 6.0408 ± 0.0007 Å |
α | 90° |
β | 97.275 ± 0.01° |
γ | 90° |
Cell volume | 2347.7 ± 0.5 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 3 |
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 | 0.165 |
Residual factor for significantly intense reflections | 0.0923 |
Weighted residual factors for significantly intense reflections | 0.1996 |
Weighted residual factors for all reflections included in the refinement | 0.2528 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.052 |
Diffraction radiation wavelength | 0.7107 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4036556.html
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