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Information card for entry 7102942
Preview
Coordinates | 7102942.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C20 H26 O4 |
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Calculated formula | C20 H26 O4 |
SMILES | O1C(=O)[C@H]2CC[C@@]3([C@@H]4C(=O)C=C([C@H](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@@H](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 | 30.8694 ± 0.0006 Å |
b | 6.9089 ± 0.0001 Å |
c | 17.077 ± 0.0004 Å |
α | 90° |
β | 102.92 ± 0.0012° |
γ | 90° |
Cell volume | 3549.87 ± 0.12 Å3 |
Cell temperature | 200 K |
Ambient diffraction temperature | 200 K |
Number of distinct elements | 3 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.0612 |
Residual factor for significantly intense reflections | 0.0321 |
Weighted residual factors for all reflections | 0.0614 |
Weighted residual factors for significantly intense reflections | 0.038 |
Weighted residual factors for all reflections included in the refinement | 0.038 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.1124 |
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/7102942.html
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Users of the data should acknowledge the original authors of the
structural data.