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Information card for entry 4121566
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Coordinates | 4121566.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | XH_NP_1 |
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Chemical name | maimone18 |
Formula | C20 H28 O5 |
Calculated formula | C20 H28 O5 |
SMILES | [C@H]12C[C@@H]3C([C@H]([C@]1(C(=O)C[C@@]1(C(=O)C[C@@H]4C([C@H]1C4)(C)C)OO2)O)C3)(C)C |
Title of publication | Four-Step Synthesis of the Antimalarial Cardamom Peroxide via an Oxygen Stitching Strategy. |
Authors of publication | Hu, Xirui; Maimone, Thomas J. |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2014 |
Journal volume | 136 |
Journal issue | 14 |
Pages of publication | 5287 - 5290 |
a | 6.4066 ± 0.0003 Å |
b | 12.6083 ± 0.0006 Å |
c | 22.0227 ± 0.0011 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1778.91 ± 0.15 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 3 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.0392 |
Residual factor for significantly intense reflections | 0.0388 |
Weighted residual factors for significantly intense reflections | 0.1028 |
Weighted residual factors for all reflections included in the refinement | 0.1032 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.045 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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