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Information card for entry 4034555
Preview
Coordinates | 4034555.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C19 H19 N2 O3 |
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Calculated formula | C19 H19 N2 O3 |
SMILES | O[C@@]12c3c(N4C(=O)[C@@H]5C(=O)N(CC2)[C@]14[C@@](CC)(C5)C=C)cccc3.O[C@]12c3c(N4C(=O)[C@H]5C(=O)N(CC2)[C@@]14[C@](CC)(C5)C=C)cccc3 |
Title of publication | A Total Synthesis of (±)-Leuconodines D and E. |
Authors of publication | Zhang, Jing; Han, Fu-She |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2019 |
Journal volume | 84 |
Journal issue | 21 |
Pages of publication | 13890 - 13896 |
a | 7.4919 ± 0.0005 Å |
b | 13.2055 ± 0.0009 Å |
c | 15.9971 ± 0.0011 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1582.66 ± 0.19 Å3 |
Cell temperature | 120 K |
Ambient diffraction temperature | 120 K |
Number of distinct elements | 4 |
Space group number | 33 |
Hermann-Mauguin space group symbol | P c 21 n |
Hall space group symbol | P -2n -2ac |
Residual factor for all reflections | 0.0465 |
Residual factor for significantly intense reflections | 0.0399 |
Weighted residual factors for significantly intense reflections | 0.1013 |
Weighted residual factors for all reflections included in the refinement | 0.1084 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.046 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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