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Information card for entry 4037080
Preview
Coordinates | 4037080.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C28 H34 N2 O3 |
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Calculated formula | C28 H34 N2 O3 |
SMILES | O(CC[C@H]1[C@H]2Cc3[nH]c4c(c3[C@@H]1N(CC2)C(=O)OC(C)(C)C)cccc4)Cc1ccccc1.O(CC[C@@H]1[C@@H]2Cc3[nH]c4c(c3[C@H]1N(CC2)C(=O)OC(C)(C)C)cccc4)Cc1ccccc1 |
Title of publication | A Raney Cobalt Mediated Reductive Cyclization Route to the Uleine Alkaloid Gilbertine. |
Authors of publication | Tang, Fei; Banwell, Martin G.; Willis, Anthony C. |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2016 |
Journal volume | 81 |
Journal issue | 21 |
Pages of publication | 10551 - 10557 |
a | 10.2934 ± 0.0002 Å |
b | 10.7138 ± 0.0002 Å |
c | 22.2707 ± 0.0003 Å |
α | 90° |
β | 90.0949 ± 0.0014° |
γ | 90° |
Cell volume | 2456.04 ± 0.07 Å3 |
Cell temperature | 150 K |
Ambient diffraction temperature | 150 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 | 0.0403 |
Residual factor for significantly intense reflections | 0.0381 |
Weighted residual factors for all reflections | 0.0974 |
Weighted residual factors for significantly intense reflections | 0.0952 |
Weighted residual factors for all reflections included in the refinement | 0.0974 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.9978 |
Diffraction radiation wavelength | 1.54184 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/4037080.html
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