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Information card for entry 1555665
Preview
Coordinates | 1555665.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C30 H46 O3 |
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Calculated formula | C30 H46 O3 |
SMILES | O1C2=C([C@@H]([C@@H]3CCC(=C)[C@@H]4[C@@H](CC[C@@]13C)C(C4)(C)C)CC(C)C)C(=O)C(C(=O)C2(C)C)(C)C |
Title of publication | Rhodomyrtials A and B, Two Meroterpenoids with a Triketone-Sesquiterpene-Triketone Skeleton from Rhodomyrtus tomentosa: Structural Elucidation and Biomimetic Synthesis. |
Authors of publication | Zhang, Ya-Long; Chen, Chen; Wang, Xiao-Bing; Wu, Lin; Yang, Ming-Hua; Luo, Jun; Zhang, Can; Sun, Hong-Bin; Luo, Jian-Guang; Kong, Ling-Yi |
Journal of publication | Organic letters |
Year of publication | 2016 |
Journal volume | 18 |
Journal issue | 16 |
Pages of publication | 4068 - 4071 |
a | 6.3412 ± 0.0001 Å |
b | 17.9097 ± 0.0001 Å |
c | 23.6648 ± 0.0001 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2687.59 ± 0.05 Å3 |
Cell temperature | 290 ± 2 K |
Ambient diffraction temperature | 290 ± 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 | 0.0351 |
Residual factor for significantly intense reflections | 0.0347 |
Weighted residual factors for significantly intense reflections | 0.0953 |
Weighted residual factors for all reflections included in the refinement | 0.0957 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.029 |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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