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Information card for entry 4130475
Preview
Coordinates | 4130475.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C19 H30 O2 |
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Calculated formula | C19 H30 O2 |
SMILES | O[C@]1(C)CC[C@@H]2[C@@H](C)C[C@@H]3[C@H]4[C@H]2[C@@H]1CC[C@@H]4C(=O)[C@@H](C3)C |
Title of publication | Synthesis of (+)-7,20-Diisocyanoadociane and Liver-Stage Antiplasmodial Activity of the Isocyanoterpene Class. |
Authors of publication | Lu, Hai-Hua; Pronin, Sergey V.; Antonova-Koch, Yevgeniya; Meister, Stephan; Winzeler, Elizabeth A.; Shenvi, Ryan A. |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2016 |
Journal volume | 138 |
Journal issue | 23 |
Pages of publication | 7268 - 7271 |
a | 5.1684 ± 0.0001 Å |
b | 17.27 ± 0.0004 Å |
c | 36.9053 ± 0.0008 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 3294.1 ± 0.12 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 K |
Number of distinct elements | 3 |
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 | 0.0334 |
Residual factor for significantly intense reflections | 0.0323 |
Weighted residual factors for significantly intense reflections | 0.0884 |
Weighted residual factors for all reflections included in the refinement | 0.0892 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.051 |
Diffraction radiation probe | x-ray |
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/4130475.html
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