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Information card for entry 1507367
Preview
Coordinates | 1507367.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C27 H32 O4 Si |
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Calculated formula | C27 H32 O4 Si |
SMILES | [Si](O[C@@H]1c2c(C=C3c4c(c(ccc4)/C=C/C(=O)OCC)O[C@@H]13)cccc2)(C)(C)C(C)(C)C.[Si](O[C@H]1c2c(C=C3c4c(c(ccc4)/C=C/C(=O)OCC)O[C@H]13)cccc2)(C)(C)C(C)(C)C |
Title of publication | Synthesis of novel tetracycles via an intramolecular Heck reaction with anti-hydride elimination. |
Authors of publication | Lautens, Mark; Fang, Yuan-Qing |
Journal of publication | Organic letters |
Year of publication | 2003 |
Journal volume | 5 |
Journal issue | 20 |
Pages of publication | 3679 - 3682 |
a | 7.682 ± 0.0005 Å |
b | 12.99 ± 0.001 Å |
c | 13.696 ± 0.0009 Å |
α | 64.279 ± 0.004° |
β | 81.104 ± 0.004° |
γ | 89.857 ± 0.005° |
Cell volume | 1213.27 ± 0.15 Å3 |
Cell temperature | 150 ± 1 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0987 |
Residual factor for significantly intense reflections | 0.0524 |
Weighted residual factors for significantly intense reflections | 0.1201 |
Weighted residual factors for all reflections included in the refinement | 0.1425 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.025 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/1507367.html
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Users of the data should acknowledge the original authors of the
structural data.