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Information card for entry 4515567
Preview
Coordinates | 4515567.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C15 H18 O2 |
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Calculated formula | C15 H18 O2 |
SMILES | [C@H]1(CCC[C@H]1/C=C/c1ccc(cc1)C(=O)C)O.[C@@H]1(CCC[C@@H]1/C=C/c1ccc(cc1)C(=O)C)O |
Title of publication | Palladium-Catalyzed Intermolecular Heck-Type Reaction of Epoxides |
Authors of publication | Teng, Shenghan; Tessensohn, Malcolm E.; Webster, Richard D.; Zhou, Jianrong Steve |
Journal of publication | ACS Catalysis |
Year of publication | 2018 |
Journal volume | 8 |
Journal issue | 8 |
Pages of publication | 7439 |
a | 14.435 ± 0.0008 Å |
b | 5.4011 ± 0.0003 Å |
c | 16.2501 ± 0.0009 Å |
α | 90° |
β | 104.851 ± 0.0019° |
γ | 90° |
Cell volume | 1224.62 ± 0.12 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 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 | 0.0714 |
Residual factor for significantly intense reflections | 0.0488 |
Weighted residual factors for significantly intense reflections | 0.124 |
Weighted residual factors for all reflections included in the refinement | 0.1423 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.049 |
Diffraction radiation wavelength | 0.71073 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/4515567.html
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