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Information card for entry 1504511
Preview
Coordinates | 1504511.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C26 H28 N5 O9 |
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Calculated formula | C26 H28 N5 O9 |
SMILES | c1(cc(ccc1N=N[C@@H](C)CC[C@H]1[C@]2(C[C@@H](C[C@]1(C)OC2)OC(=O)c1ccc(cc1)N(=O)=O)C)N(=O)=O)N(=O)=O.c1(cc(ccc1N=N[C@H](C)CC[C@@H]1[C@@]2(C[C@H](C[C@@]1(C)CO2)OC(=O)c1ccc(cc1)N(=O)=O)C)N(=O)=O)N(=O)=O |
Title of publication | First total syntheses of (±)-annuionone B and (±)-tanarifuranonol |
Authors of publication | Shiao, Hui-Yi; Hsieh, Hsing-Pang; Liao, Chun-Chen |
Journal of publication | Organic Letters |
Year of publication | 2008 |
Journal volume | 10 |
Journal issue | 3 |
Pages of publication | 449 - 452 |
a | 12.316 ± 0.005 Å |
b | 12.554 ± 0.005 Å |
c | 17.588 ± 0.007 Å |
α | 98.282 ± 0.005° |
β | 94.186 ± 0.005° |
γ | 97.013 ± 0.005° |
Cell volume | 2659.5 ± 1.8 Å3 |
Cell temperature | 273 ± 2 K |
Ambient diffraction temperature | 273 ± 2 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.2462 |
Residual factor for significantly intense reflections | 0.1052 |
Weighted residual factors for significantly intense reflections | 0.258 |
Weighted residual factors for all reflections included in the refinement | 0.3074 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.946 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/1504511.html
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Users of the data should acknowledge the original authors of the
structural data.