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Information card for entry 4026303
Preview
Coordinates | 4026303.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C19 H17 N O2 |
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Calculated formula | C19 H17 N O2 |
SMILES | O1C(=O)[C@H]2[C@H]3[C@@]1(c1c([C@H]3CCC2)cccc1)c1ncccc1.O1C(=O)[C@@H]2[C@@H]3[C@]1(c1c([C@@H]3CCC2)cccc1)c1ncccc1 |
Title of publication | Formation of Polycyclic Lactones through a Ruthenium-Catalyzed Ring-Closing Metathesis/Hetero-Pauson-Khand Reaction Sequence |
Authors of publication | David F. Finnegan; Marc L. Snapper |
Journal of publication | Journal of Organic Chemistry |
Year of publication | 2011 |
Journal volume | 76 |
Pages of publication | 3644 - 3653 |
a | 8.5306 ± 0.0014 Å |
b | 16.65 ± 0.003 Å |
c | 10.7514 ± 0.0017 Å |
α | 90° |
β | 107.421 ± 0.003° |
γ | 90° |
Cell volume | 1457 ± 0.4 Å3 |
Cell temperature | 193 ± 2 K |
Ambient diffraction temperature | 193 ± 2 K |
Number of distinct elements | 4 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.07 |
Residual factor for significantly intense reflections | 0.0525 |
Weighted residual factors for significantly intense reflections | 0.1174 |
Weighted residual factors for all reflections included in the refinement | 0.1257 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.956 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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