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Information card for entry 4120624
Preview
Coordinates | 4120624.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C28 H30 N2 O3 |
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Calculated formula | C28 H30 N2 O3 |
SMILES | O=C1N2[C@H]3[C@@]4(c5ccccc5N([C@@H]4[C@]4(C[C@]3(CC1)CC4)C(=O)OC)Cc1ccccc1)CC2 |
Title of publication | Total Syntheses of (-)-Kopsifoline D and (-)-Deoxoapodine: Divergent Total Synthesis via Late-Stage Key Strategic Bond Formation. |
Authors of publication | Lee, Kiyoun; Boger, Dale L. |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2014 |
Journal volume | 136 |
Journal issue | 8 |
Pages of publication | 3312 |
a | 8.306 ± 0.005 Å |
b | 6.569 ± 0.004 Å |
c | 21.01 ± 0.011 Å |
α | 90° |
β | 100.631 ± 0.006° |
γ | 90° |
Cell volume | 1126.7 ± 1.1 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 4 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.1212 |
Residual factor for significantly intense reflections | 0.0675 |
Weighted residual factors for significantly intense reflections | 0.1629 |
Weighted residual factors for all reflections included in the refinement | 0.18 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.872 |
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/4120624.html
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