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Information card for entry 1546194
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Coordinates | 1546194.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | 2-((1R,2S,4aS,8aS)-2-hydroxy-2,5,5,8a-tetramethyldecahydronaphthalen-1-yl)-N-methoxy-N-methylacetamide |
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Formula | C18 H33 N O3 |
Calculated formula | C18 H33 N O3 |
SMILES | O[C@@]1([C@@H]([C@@]2(C)CCCC(C)([C@@H]2CC1)C)CC(=O)N(OC)C)C |
Title of publication | Formal Total Synthesis of Actinoranone and Asymmetric Synthesis of Labda-7,13-(E)-dien-15-ol. |
Authors of publication | Novaes, Luiz F. T.; Pastre, Julio C. |
Journal of publication | Organic letters |
Year of publication | 2017 |
a | 10.7535 ± 0.0005 Å |
b | 6.972 ± 0.0003 Å |
c | 12.657 ± 0.0006 Å |
α | 90° |
β | 110.71 ± 0.002° |
γ | 90° |
Cell volume | 887.62 ± 0.07 Å3 |
Cell temperature | 150 K |
Ambient diffraction temperature | 150 K |
Number of distinct elements | 4 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.0349 |
Residual factor for significantly intense reflections | 0.0341 |
Weighted residual factors for significantly intense reflections | 0.1014 |
Weighted residual factors for all reflections included in the refinement | 0.1034 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.9079 |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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