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Information card for entry 1555706
Preview
Coordinates | 1555706.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C16 H21 N O2 |
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Calculated formula | C16 H21 N O2 |
SMILES | O=C1O[C@H]2[C@H]3CCCN4CC=C[C@]5(CC2)[C@]34C[C@@]15C |
Title of publication | Annotinolides A-C, Three Lycopodane-Derived 8,5-Lactones with Polycyclic Skeletons from Lycopodium annotinum. |
Authors of publication | Tang, Yu; Xiong, Juan; Zhang, Jing-Jing; Wang, Wei; Zhang, Hai-Yan; Hu, Jin-Feng |
Journal of publication | Organic letters |
Year of publication | 2016 |
Journal volume | 18 |
Journal issue | 17 |
Pages of publication | 4376 - 4379 |
a | 8.7313 ± 0.0001 Å |
b | 10.0431 ± 0.0001 Å |
c | 14.6801 ± 0.0002 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1287.29 ± 0.03 Å3 |
Cell temperature | 130 K |
Ambient diffraction temperature | 130 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 | 0.0351 |
Residual factor for significantly intense reflections | 0.0347 |
Weighted residual factors for significantly intense reflections | 0.0879 |
Weighted residual factors for all reflections included in the refinement | 0.0885 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.102 |
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/1555706.html
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