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Information card for entry 4128615
Preview
Coordinates | 4128615.cif |
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Original paper (by DOI) | HTML |
Formula | C16 H22 O3 |
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Calculated formula | C16 H22 O3 |
Title of publication | A Radical-Polar Crossover Annulation To Access Terpenoid Motifs. |
Authors of publication | Thomas, William P.; Schatz, Devon J.; George, David T.; Pronin, Sergey V. |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2019 |
Journal volume | 141 |
Journal issue | 31 |
Pages of publication | 12246 - 12250 |
a | 12.1239 ± 0.0008 Å |
b | 13.1282 ± 0.0009 Å |
c | 14.4151 ± 0.001 Å |
α | 87.304 ± 0.0009° |
β | 75.4289 ± 0.0009° |
γ | 76.0963 ± 0.0009° |
Cell volume | 2155.3 ± 0.3 Å3 |
Cell temperature | 133 ± 2 K |
Ambient diffraction temperature | 133 ± 2 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 | 0.0882 |
Residual factor for significantly intense reflections | 0.0622 |
Weighted residual factors for significantly intense reflections | 0.1582 |
Weighted residual factors for all reflections included in the refinement | 0.1758 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.023 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
221696 (current) | 2019-11-03 | cif/ Adding structures of 4128615 via cif-deposit CGI script. |
4128615.cif |
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Users of the data should acknowledge the original authors of the
structural data.