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Information card for entry 4120224
Preview
Coordinates | 4120224.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C35 H52 N4 O4 |
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Calculated formula | C35 H52 N4 O4 |
SMILES | C1(=O)[C@@]2(c3cccc(c3N1)C#CC(C)C)C[C@]1(CN3[C@H](C[C@H](C[C@@H]3C[C@@]1(C2(C)C)O)OC(=O)[C@H](C(C)C)N(C)C)C)NC |
Title of publication | Enantioselective Total Synthesis of (-)-Citrinadin A and Revision of Its Stereochemical Structure |
Authors of publication | Zhiguo Bian; Christopher C. Marvin; Stephen F. Martin |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2013 |
Journal volume | 135 |
Pages of publication | 10886 - 10889 |
a | 14.7885 ± 0.0018 Å |
b | 15.481 ± 0.002 Å |
c | 14.806 ± 0.002 Å |
α | 90° |
β | 98.104 ± 0.011° |
γ | 90° |
Cell volume | 3355.8 ± 0.8 Å3 |
Cell temperature | 153 ± 2 K |
Ambient diffraction temperature | 153 ± 2 K |
Number of distinct elements | 4 |
Space group number | 5 |
Hermann-Mauguin space group symbol | I 1 2 1 |
Hall space group symbol | I 2y |
Residual factor for all reflections | 0.0462 |
Residual factor for significantly intense reflections | 0.0428 |
Weighted residual factors for significantly intense reflections | 0.1099 |
Weighted residual factors for all reflections included in the refinement | 0.1123 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.07 |
Diffraction radiation wavelength | 0.71075 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/4120224.html
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