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Information card for entry 1518465
Preview
Coordinates | 1518465.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C19 H26 O7 |
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Calculated formula | C19 H26 O7 |
SMILES | O1[C@@]2([C@@]34C[C@@H](O)C(OC3=C(C(=O)C)[C@]2(O)C([C@@H]1C4)(C)C)(C)C)C(=O)OC |
Title of publication | (±)-Melicolones A and B, Rearranged Prenylated Acetophenone Stereoisomers with an Unusual 9-Oxatricyclo[3.2.1.1(3,8)]nonane Core from the Leaves of Melicope ptelefolia. |
Authors of publication | Xu, Jin-Fang; Zhao, Hui-Jun; Wang, Xiao-Bing; Li, Zhong-Rui; Luo, Jun; Yang, Ming-Hua; Yang, Lei; Yu, Wen-Ying; Yao, He-Quan; Luo, Jian-Guang; Kong, Ling-Yi |
Journal of publication | Organic letters |
Year of publication | 2015 |
Journal volume | 17 |
Journal issue | 1 |
Pages of publication | 146 - 149 |
a | 9.2683 ± 0.0001 Å |
b | 9.2683 ± 0.0001 Å |
c | 18.5901 ± 0.0003 Å |
α | 90° |
β | 90° |
γ | 120° |
Cell volume | 1382.97 ± 0.03 Å3 |
Cell temperature | 291 ± 2 K |
Ambient diffraction temperature | 291 ± 2 K |
Number of distinct elements | 3 |
Space group number | 145 |
Hermann-Mauguin space group symbol | P 32 |
Hall space group symbol | P 32 |
Residual factor for all reflections | 0.0241 |
Residual factor for significantly intense reflections | 0.024 |
Weighted residual factors for significantly intense reflections | 0.0643 |
Weighted residual factors for all reflections included in the refinement | 0.0644 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.061 |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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