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Information card for entry 4131329
Preview
Coordinates | 4131329.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C18 H29 N O4 |
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Calculated formula | C18 H29 N O4 |
SMILES | O=C(N(C)C)[C@H](O)[C@@]12C(=CC[C@H]1C)[C@]1([C@@H]([C@@](OC1)(OC)C2)C)C.O=C(N(C)C)[C@@H](O)[C@]12C(=CC[C@@H]1C)[C@@]1([C@H]([C@](OC1)(OC)C2)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 | 14.565 ± 0.0004 Å |
b | 7.6815 ± 0.0002 Å |
c | 15.6786 ± 0.0004 Å |
α | 90° |
β | 106.182 ± 0.001° |
γ | 90° |
Cell volume | 1684.64 ± 0.08 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 K |
Number of distinct elements | 4 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0383 |
Residual factor for significantly intense reflections | 0.0363 |
Weighted residual factors for significantly intense reflections | 0.0915 |
Weighted residual factors for all reflections included in the refinement | 0.093 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.053 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4131329.html
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Users of the data should acknowledge the original authors of the
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