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Information card for entry 4037078
Preview
Coordinates | 4037078.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C18 H22 N2 O |
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Calculated formula | C18 H22 N2 O |
SMILES | O1[C@]2(c3[nH]c4c(c3[C@@H]3N(CC[C@H]2[C@@H]3CC1)C)cccc4)C.O1[C@@]2(c3[nH]c4c(c3[C@H]3N(CC[C@@H]2[C@H]3CC1)C)cccc4)C |
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 | 8.237 ± 0.0002 Å |
b | 21.2108 ± 0.0004 Å |
c | 8.4707 ± 0.0002 Å |
α | 90° |
β | 98.7489 ± 0.0019° |
γ | 90° |
Cell volume | 1462.72 ± 0.06 Å3 |
Cell temperature | 150 K |
Ambient diffraction temperature | 150 K |
Number of distinct elements | 4 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.054 |
Residual factor for significantly intense reflections | 0.0524 |
Weighted residual factors for all reflections | 0.1374 |
Weighted residual factors for significantly intense reflections | 0.1353 |
Weighted residual factors for all reflections included in the refinement | 0.1374 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.0038 |
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/4037078.html
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