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Information card for entry 4104835
Preview
Coordinates | 4104835.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | SW-V-89 |
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Chemical name | sarpong04 |
Formula | C16 H21 Cl N2 O |
Calculated formula | C16 H21 Cl N2 O |
SMILES | c1(ccc2c([C@@H]3[C@@H]4[C@@H]5C[C@H]2C[NH+]3[C@@H]5CCC4)n1)OC.[Cl-].c1(ccc2c([C@H]3[C@H]4[C@H]5C[C@@H]2C[NH+]3[C@H]5CCC4)n1)OC.[Cl-] |
Title of publication | Total Synthesis of (+)-Lyconadin A and Related Compounds via Oxidative C-N Bond Formation |
Authors of publication | Scott P. West; Alakesh Bisai; Andrew D. Lim; Raja R. Narayan; Richmond Sarpong |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2009 |
Journal volume | 131 |
Pages of publication | 11187 - 11194 |
a | 7.3398 ± 0.0007 Å |
b | 8.3066 ± 0.0008 Å |
c | 13.8028 ± 0.0013 Å |
α | 84.584 ± 0.002° |
β | 75.864 ± 0.002° |
γ | 68.311 ± 0.002° |
Cell volume | 758.28 ± 0.13 Å3 |
Cell temperature | 139 ± 2 K |
Ambient diffraction temperature | 139 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0581 |
Residual factor for significantly intense reflections | 0.0444 |
Weighted residual factors for significantly intense reflections | 0.1087 |
Weighted residual factors for all reflections included in the refinement | 0.1193 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.028 |
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/4104835.html
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Users of the data should acknowledge the original authors of the
structural data.