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Information card for entry 4131331
Preview
Coordinates | 4131331.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C15 H22 O5 |
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Calculated formula | C15 H22 O5 |
SMILES | O[C@H]1[C@@]2(O)OC[C@@]3([C@]2(C(=O)C[C@@]21[C@@H](CC[C@]32O)C)C)C |
Title of publication | Synthesis of (-)-11-O-Debenzoyltashironin: Neurotrophic Sesquiterpenes Cause Hyperexcitation. |
Authors of publication | Ohtawa, Masaki; Krambis, Michael J.; Cerne, Rok; Schkeryantz, Jeffrey M.; Witkin, Jeffrey M.; Shenvi, Ryan A. |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2017 |
Journal volume | 139 |
Journal issue | 28 |
Pages of publication | 9637 - 9644 |
a | 9.3686 ± 0.0002 Å |
b | 10.5348 ± 0.0002 Å |
c | 13.5886 ± 0.0003 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1341.14 ± 0.05 Å3 |
Cell temperature | 100 K |
Ambient diffraction temperature | 100 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 | 0.0296 |
Residual factor for significantly intense reflections | 0.0291 |
Weighted residual factors for significantly intense reflections | 0.075 |
Weighted residual factors for all reflections included in the refinement | 0.0754 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.065 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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