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Information card for entry 4124360
Preview
Coordinates | 4124360.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C28 H38 Cl N O3 |
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Calculated formula | C28 H38 Cl N O3 |
SMILES | [Cl-].O=C1O[C@H]([C@@H]2[C@H](/C=C/[C@H]3[NH2+][C@@H](C)CCC3)[C@H]3C[C@H](OCc4ccccc4)CC[C@@H]3C=C12)C |
Title of publication | Total Synthesis of the Galbulimima Alkaloids Himandravine and GB17 Using Biomimetic Diels-Alder Reactions of Double Diene Precursors. |
Authors of publication | Larson, Reed T.; Pemberton, Ryan P.; Franke, Jenna M.; Tantillo, Dean J.; Thomson, Regan J. |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2015 |
Journal volume | 137 |
Journal issue | 34 |
Pages of publication | 11197 - 11204 |
a | 5.29851 ± 0.0001 Å |
b | 10.6425 ± 0.0002 Å |
c | 22.9174 ± 0.0005 Å |
α | 97.3625 ± 0.0011° |
β | 96.2287 ± 0.0011° |
γ | 90.2865 ± 0.001° |
Cell volume | 1273.84 ± 0.04 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 | 0.0281 |
Residual factor for significantly intense reflections | 0.0262 |
Weighted residual factors for significantly intense reflections | 0.0624 |
Weighted residual factors for all reflections included in the refinement | 0.0633 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.029 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
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/4124360.html
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Users of the data should acknowledge the original authors of the
structural data.