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Information card for entry 4031812
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Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 4031812.cif |
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Original paper (by DOI) | HTML |
Formula | C25 H34 O4 Si |
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Calculated formula | C25 H34 O4 Si |
SMILES | [Si](c1ccccc1)([C@@H]1CC(=O)[C@@]23[C@@H]4[C@]1(C)CO[C@H]4CC(=C)[C@@H]2[C@@](OC3)(OC)C)(C)C |
Title of publication | Gold-Catalyzed Enantio- and Diastereoselective Syntheses of Left Fragments of Azadirachtin/Meliacarpin-Type Limonoids. |
Authors of publication | Shi, Hang; Tan, Ceheng; Zhang, Weibin; Zhang, Zichun; Long, Rong; Gong, Jianxian; Luo, Tuoping; Yang, Zhen |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2016 |
Journal volume | 81 |
Journal issue | 3 |
Pages of publication | 751 - 771 |
a | 11.2623 ± 0.0002 Å |
b | 8.9195 ± 0.0001 Å |
c | 12.9754 ± 0.0009 Å |
α | 90° |
β | 114.397 ± 0.008° |
γ | 90° |
Cell volume | 1187.04 ± 0.11 Å3 |
Cell temperature | 295 ± 2 K |
Ambient diffraction temperature | 295 ± 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 | 0.0602 |
Residual factor for significantly intense reflections | 0.0502 |
Weighted residual factors for significantly intense reflections | 0.1154 |
Weighted residual factors for all reflections included in the refinement | 0.1402 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.111 |
Diffraction radiation wavelength | 1.54187 Å |
Diffraction radiation type | CuKα |
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/4031812.html
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Users of the data should acknowledge the original authors of the
structural data.