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Information card for entry 4027186
Preview
Coordinates | 4027186.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C23 H30 O4 |
---|---|
Calculated formula | C23 H30 O4 |
SMILES | O([C@H]1[C@]2([C@@H]([C@H](O)[C@@H](CC2)C(=C)C)C(=C)CC1)COC)C(=O)c1ccccc1.O([C@@H]1[C@@]2([C@H]([C@@H](O)[C@H](CC2)C(=C)C)C(=C)CC1)COC)C(=O)c1ccccc1 |
Title of publication | A Convergent and Stereocontrolled Cycloaddition Strategy toward Eudesmane Sesquiterpenoid: Total Synthesis of (\±)-6β,14-Epoxyeudesm-4(15)-en-1β-ol |
Authors of publication | Cui-Cui Wang; Wei-Dong Z. Li |
Journal of publication | Journal of Organic Chemistry |
Year of publication | 2012 |
Journal volume | 77 |
Pages of publication | 4217 - 4225 |
a | 14.6915 ± 0.0018 Å |
b | 12.6135 ± 0.0016 Å |
c | 11.3554 ± 0.0014 Å |
α | 90° |
β | 104.313 ± 0.001° |
γ | 90° |
Cell volume | 2039 ± 0.4 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 3 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0746 |
Residual factor for significantly intense reflections | 0.0454 |
Weighted residual factors for significantly intense reflections | 0.1112 |
Weighted residual factors for all reflections included in the refinement | 0.1283 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.024 |
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/4027186.html
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