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Information card for entry 1553871
Preview
Coordinates | 1553871.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C31 H38 O9 |
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Calculated formula | C31 H38 O9 |
Title of publication | Rearranged limonoids with unique 6/5/6/5 tetracarbocyclic skeletons from Toona ciliata and biomimetic structure divergence |
Authors of publication | Luo, Jun; Huang, Wan-Sha; Hu, Sheng-Mou; Zhang, Pan-Pan; Zhou, Xu-Wei; Wang, Xiao-Bing; Yang, Ming-Hua; Luo, Jian-Guang; Wang, Chen; Liu, Chang; Yao, He-Quan; Zhang, Can; Sun, Hong-Bin; Chen, Yi-Jun; Kong, Ling-Yi |
Journal of publication | Organic Chemistry Frontiers |
Year of publication | 2017 |
Journal volume | 4 |
Journal issue | 12 |
Pages of publication | 2417 |
a | 14.6815 ± 0.0001 Å |
b | 17.2043 ± 0.0002 Å |
c | 23.1115 ± 0.0002 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 5837.62 ± 0.09 Å3 |
Cell temperature | 291 ± 2 K |
Ambient diffraction temperature | 291 ± 2 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 | 0.0685 |
Residual factor for significantly intense reflections | 0.0635 |
Weighted residual factors for significantly intense reflections | 0.1821 |
Weighted residual factors for all reflections included in the refinement | 0.1891 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.034 |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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