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Information card for entry 4028629
Preview
Coordinates | 4028629.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C20 H18 N2 O4 |
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Calculated formula | C20 H18 N2 O4 |
SMILES | COC(=O)[C@H]1Cc2c3ccccc3[nH]c2[C@@H](c2ccco2)N1C(=O)C=C |
Title of publication | Diastereoselective Synthesis of Bridged Polycyclic Alkaloids via Tandem Acylation/Intramolecular Diels-Alder Reaction |
Authors of publication | Chih-Hau Chen; Gorakh S. Yellol; Cheng-Hsun Tsai; Prashant B. Dalvi; Chung-Ming Sun |
Journal of publication | Journal of Organic Chemistry |
Year of publication | 2013 |
Journal volume | 78 |
Pages of publication | 9738 - 9747 |
a | 8.3131 ± 0.0013 Å |
b | 13.596 ± 0.002 Å |
c | 15.136 ± 0.002 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1710.7 ± 0.4 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 4 |
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 | 0.0419 |
Residual factor for significantly intense reflections | 0.0334 |
Weighted residual factors for significantly intense reflections | 0.0797 |
Weighted residual factors for all reflections included in the refinement | 0.0839 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.082 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4028629.html
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Users of the data should acknowledge the original authors of the
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