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Information card for entry 7102940
Preview
Coordinates | 7102940.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C20 H24 O4 |
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Calculated formula | C20 H24 O4 |
SMILES | O1C(=O)[C@H]2CC[C@@]3([C@@H]4C(=O)C=C(C(=O)[C@@H]4CC=C3[C@H]2C1)C(C)C)C.O1C(=O)[C@@H]2CC[C@]3([C@H]4C(=O)C=C(C(=O)[C@H]4CC=C3[C@@H]2C1)C(C)C)C |
Title of publication | Formal total synthesis of triptolide. |
Authors of publication | Miller, Natalie A; Willis, Anthony C; Sherburn, Michael S |
Journal of publication | Chemical communications (Cambridge, England) |
Year of publication | 2008 |
Journal issue | 10 |
Pages of publication | 1226 - 1228 |
a | 8.9554 ± 0.0002 Å |
b | 9.8045 ± 0.0003 Å |
c | 10.6568 ± 0.0003 Å |
α | 102.931 ± 0.0013° |
β | 113.378 ± 0.0016° |
γ | 91.074 ± 0.0017° |
Cell volume | 831.03 ± 0.04 Å3 |
Cell temperature | 200 K |
Ambient diffraction temperature | 200 K |
Number of distinct elements | 3 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0478 |
Residual factor for significantly intense reflections | 0.0373 |
Weighted residual factors for all reflections | 0.0455 |
Weighted residual factors for significantly intense reflections | 0.0413 |
Weighted residual factors for all reflections included in the refinement | 0.0413 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.1107 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7102940.html
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Users of the data should acknowledge the original authors of the
structural data.