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Information card for entry 4107174
Preview
Coordinates | 4107174.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C23 H27 N O6 S |
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Calculated formula | C23 H27 N O6 S |
SMILES | S(C)c1c(NC(=O)[C@@H]2[C@H](c3cc(OC)c(OC)c(OC)c3)[C@H](C2)C(=O)OC)cccc1.S(C)c1c(NC(=O)[C@H]2[C@@H](c3cc(OC)c(OC)c(OC)c3)[C@@H](C2)C(=O)OC)cccc1 |
Title of publication | Total Synthesis and Structural Revision of the Piperarborenines via Sequential Cyclobutane C-H Arylation |
Authors of publication | Will R. Gutekunst; Phil S. Baran |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2011 |
Journal volume | 133 |
Pages of publication | 19076 - 19079 |
a | 12.6275 ± 0.0004 Å |
b | 8.5892 ± 0.0003 Å |
c | 20.4658 ± 0.0006 Å |
α | 90° |
β | 99.32° |
γ | 90° |
Cell volume | 2190.42 ± 0.12 Å3 |
Cell temperature | 120 ± 2 K |
Ambient diffraction temperature | 120 ± 2 K |
Number of distinct elements | 5 |
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 | 0.0385 |
Residual factor for significantly intense reflections | 0.034 |
Weighted residual factors for significantly intense reflections | 0.0815 |
Weighted residual factors for all reflections included in the refinement | 0.0857 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.065 |
Diffraction radiation wavelength | 0.71073 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/4107174.html
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Users of the data should acknowledge the original authors of the
structural data.