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Information card for entry 4118431
Preview
Coordinates | 4118431.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C16 H26 Cl N O |
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Calculated formula | C16 H26 Cl N O |
SMILES | [Cl-].O=C1C[C@H]2[C@]34[C@@H]1CCC[NH+](CCC3)[C@H]4C[C@@H](C2)C |
Title of publication | Protecting Group-Free Total Synthesis of (-)-Lannotinidine B |
Authors of publication | Hui Ming Ge; Lan-De Zhang; Ren Xiang Tan; Zhu-Jun Yao |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2012 |
Journal volume | 134 |
Pages of publication | 12323 - 12325 |
a | 7.0468 ± 0.0004 Å |
b | 7.1015 ± 0.0004 Å |
c | 15.3922 ± 0.0008 Å |
α | 87.122 ± 0.004° |
β | 83.596 ± 0.005° |
γ | 74.946 ± 0.005° |
Cell volume | 739.01 ± 0.07 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 5 |
Space group number | 1 |
Hermann-Mauguin space group symbol | P 1 |
Hall space group symbol | P 1 |
Residual factor for all reflections | 0.056 |
Residual factor for significantly intense reflections | 0.0527 |
Weighted residual factors for significantly intense reflections | 0.145 |
Weighted residual factors for all reflections included in the refinement | 0.1467 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.081 |
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/4118431.html
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Users of the data should acknowledge the original authors of the
structural data.