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Information card for entry 4124410
Preview
Coordinates | 4124410.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C23 H36 O2 |
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Calculated formula | C23 H36 O2 |
SMILES | O[C@@H]1CC2=CC[C@H]3[C@@H]4CC[C@@H]([C@]4(CC[C@@H]3[C@]2(CC1)C)C)C(=C\CO)/C |
Title of publication | Catalyst-Directed Diastereoselective Isomerization of Allylic Alcohols for the Stereoselective Construction of C(20) in Steroid Side Chains: Scope and Topological Diversification. |
Authors of publication | Li, Houhua; Mazet, Clément |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2015 |
Pages of publication | 150811163019004 |
a | 11.4236 ± 0.0008 Å |
b | 7.3166 ± 0.0004 Å |
c | 12.1844 ± 0.0008 Å |
α | 90° |
β | 109.39 ± 0.008° |
γ | 90° |
Cell volume | 960.63 ± 0.12 Å3 |
Cell temperature | 180 ± 2 K |
Ambient diffraction temperature | 180 ± 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 | 0.0292 |
Residual factor for significantly intense reflections | 0.029 |
Weighted residual factors for significantly intense reflections | 0.077 |
Weighted residual factors for all reflections included in the refinement | 0.0774 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.019 |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4124410.html
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