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Information card for entry 4029075
Preview
Coordinates | 4029075.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C24 H32 N2 O6 |
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Calculated formula | C24 H32 N2 O6 |
SMILES | N(C1=C[C@@]2(C[C@H](C1=O)Cc1nc(OC)ccc21)C)(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C.N(C1=C[C@]2(C[C@@H](C1=O)Cc1nc(OC)ccc21)C)(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C |
Title of publication | Divergent total synthesis of the Lycopodium alkaloids huperzine A, huperzine B, and huperzine U. |
Authors of publication | Ding, Rui; Fu, Jian-Guo; Xu, Guang-Qiang; Sun, Bing-Feng; Lin, Guo-Qiang |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2014 |
Journal volume | 79 |
Journal issue | 1 |
Pages of publication | 240 - 250 |
a | 13.4267 ± 0.0002 Å |
b | 17.8534 ± 0.0003 Å |
c | 20.7231 ± 0.0003 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 4967.58 ± 0.13 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 4 |
Space group number | 61 |
Hermann-Mauguin space group symbol | P b c a |
Hall space group symbol | -P 2ac 2ab |
Residual factor for all reflections | 0.0552 |
Residual factor for significantly intense reflections | 0.0526 |
Weighted residual factors for significantly intense reflections | 0.1587 |
Weighted residual factors for all reflections included in the refinement | 0.1627 |
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/4029075.html
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Users of the data should acknowledge the original authors of the
structural data.