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Information card for entry 4128472
Preview
Coordinates | 4128472.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C15 H24 O3 |
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Calculated formula | C15 H24 O3 |
SMILES | O1[C@]23CC[C@H]([C@]43C[C@@H]1[C@H]([C@@H](C2(CO)CO)C4)C)C |
Title of publication | Development of a Terpene Feedstock-Based Oxidative Synthetic Approach to the Illicium Sesquiterpenes. |
Authors of publication | Hung, Kevin; Condakes, Matthew L.; Novaes, Luiz F. T.; Harwood, Stephen J.; Morikawa, Takahiro; Yang, Zhi; Maimone, Thomas J. |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2019 |
Journal volume | 141 |
Journal issue | 7 |
Pages of publication | 3083 - 3099 |
a | 8.7529 ± 0.0002 Å |
b | 6.3723 ± 0.0001 Å |
c | 11.9743 ± 0.0002 Å |
α | 90° |
β | 90.872 ± 0.002° |
γ | 90° |
Cell volume | 667.8 ± 0.02 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 3 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.0335 |
Residual factor for significantly intense reflections | 0.032 |
Weighted residual factors for significantly intense reflections | 0.0816 |
Weighted residual factors for all reflections included in the refinement | 0.0826 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.091 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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