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Information card for entry 4121848
Preview
Coordinates | 4121848.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C42 H54 N2 O2 |
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Calculated formula | C42 H54 N2 O2 |
SMILES | N12[C@@H]3C[C@@H](C(=O)[C@@]45[C@@]3([C@@H](C1)CCC1=C4C(=CC5)CC[C@@]31C1=C4[C@]5(C(=O)[C@@H]6C[C@H]7N(C[C@H]([C@@]57C)CC[C@@H]4C3)C[C@H]6C)CC1)C)[C@@H](C2)C |
Title of publication | Logeracemin A, an Anti-HIV Daphniphyllum Alkaloid Dimer with a New Carbon Skeleton from Daphniphyllum longeracemosum. |
Authors of publication | Xu, Jin-Biao; Zhang, Hua; Gan, Li-She; Han, Ying-Shan; Wainberg, Mark A.; Yue, Jian-Min |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2014 |
Journal volume | 136 |
Journal issue | 21 |
Pages of publication | 7631 - 7633 |
a | 7.0536 ± 0.0003 Å |
b | 16.9061 ± 0.0006 Å |
c | 30.9575 ± 0.0012 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 3691.6 ± 0.2 Å3 |
Cell temperature | 140 ± 2 K |
Ambient diffraction temperature | 140 ± 2 K |
Number of distinct elements | 4 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.0683 |
Residual factor for significantly intense reflections | 0.0597 |
Weighted residual factors for significantly intense reflections | 0.1592 |
Weighted residual factors for all reflections included in the refinement | 0.1654 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.039 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4121848.html
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Users of the data should acknowledge the original authors of the
structural data.