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Information card for entry 4105623
Preview
Coordinates | 4105623.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C25 H34 Cl N3 O |
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Calculated formula | C25 H34 Cl N3 O |
SMILES | [Cl-].[nH+]1c(c2[nH]ccc2)cc(OC)c1=Cc1[nH]c2cc1[C@H](CCCC)CCCCCC2 |
Title of publication | Enantioselective Total Synthesis and Confirmation of the Absolute and Relative Stereochemistry of Streptorubin B |
Authors of publication | Dennis X. Hu; Michael D. Clift; Kiel E. Lazarski; Regan J. Thomson |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2011 |
Journal volume | 133 |
Pages of publication | 1799 - 1804 |
a | 27.139 ± 0.005 Å |
b | 8.776 ± 0.0018 Å |
c | 23.632 ± 0.005 Å |
α | 90° |
β | 123.81 ± 0.03° |
γ | 90° |
Cell volume | 4677 ± 2 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 5 |
Space group number | 5 |
Hermann-Mauguin space group symbol | C 1 2 1 |
Hall space group symbol | C 2y |
Residual factor for all reflections | 0.0807 |
Residual factor for significantly intense reflections | 0.057 |
Weighted residual factors for significantly intense reflections | 0.1345 |
Weighted residual factors for all reflections included in the refinement | 0.1529 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.029 |
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/4105623.html
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Users of the data should acknowledge the original authors of the
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