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Information card for entry 4101746
Preview
Coordinates | 4101746.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | frowh03 |
---|---|
Formula | C14 H16 O5 |
Calculated formula | C14 H16 O5 |
SMILES | O1[C@@]23[C@@](CC1=O)(C(=C)CC2)C(=O)OC[C@]3(C)C(=O)C.O1[C@]23[C@](CC1=O)(C(=C)CC2)C(=O)OC[C@@]3(C)C(=O)C |
Title of publication | Total Synthesis of (±)-Merrilactone A |
Authors of publication | He, Wei; Huang, Jie; Sun, Xiufeng; Frontier, Alison J. |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2008 |
Journal volume | 130 |
Journal issue | 1 |
Pages of publication | 300 - 308 |
a | 10.3046 ± 0.0009 Å |
b | 11.086 ± 0.001 Å |
c | 11.7039 ± 0.001 Å |
α | 90° |
β | 109.354 ± 0.001° |
γ | 90° |
Cell volume | 1261.46 ± 0.19 Å3 |
Cell temperature | 100 ± 0.1 K |
Ambient diffraction temperature | 100 ± 0.1 K |
Number of distinct elements | 3 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0448 |
Residual factor for significantly intense reflections | 0.0351 |
Weighted residual factors for significantly intense reflections | 0.091 |
Weighted residual factors for all reflections included in the refinement | 0.0971 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.025 |
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/4101746.html
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Users of the data should acknowledge the original authors of the
structural data.