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Information card for entry 1555720
Preview
Coordinates | 1555720.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C29.64 H34.56 O10.36 |
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Calculated formula | C29.64 H34.56 O10.36 |
SMILES | [C@H]12[C@H](C(=O)O[C@@]32[C@H](C(C)(O1)C)CC=C1[C@@]2(C[C@]4([C@]5(CC(=O)O[C@H]5[C@H](C)[C@H]4[C@]42OC(=O)C(=C4)C)C)C1=O)C3)O.CO |
Title of publication | Schincalide A, a Schinortriterpenoid with a Tricyclo[5.2.1.0(1,6)]decane-Bridged System from the Stems and Leaves of Schisandra incarnate. |
Authors of publication | Zhou, Ming; Liu, Ye; Song, Jian; Peng, Xiao-Gang; Cheng, Qi; Cao, Hui; Xiang, Ming; Ruan, Han-Li |
Journal of publication | Organic letters |
Year of publication | 2016 |
Journal volume | 18 |
Journal issue | 18 |
Pages of publication | 4558 - 4561 |
a | 6.9086 ± 0.0004 Å |
b | 13.0711 ± 0.0008 Å |
c | 29.2663 ± 0.0018 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2642.8 ± 0.3 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 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 | 0.0662 |
Residual factor for significantly intense reflections | 0.0636 |
Weighted residual factors for significantly intense reflections | 0.1807 |
Weighted residual factors for all reflections included in the refinement | 0.1826 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.116 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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The link is: https://www.crystallography.net/1555720.html
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Users of the data should acknowledge the original authors of the
structural data.