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Information card for entry 4037063
Preview
Coordinates | 4037063.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C17 H22 N2 O |
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Calculated formula | C17 H22 N2 O |
SMILES | [nH]1c2ccccc2c2[C@@H]3NCCC[C@]3(CCc12)CCO.[nH]1c2ccccc2c2[C@H]3NCCC[C@@]3(CCc12)CCO |
Title of publication | A Formal Total Synthesis of (±)-Kopsihainanine A Using a Raney-Cobalt Mediated Reductive Cyclization Route to Polyhydroquinolines. |
Authors of publication | Tan, Shen H.; Banwell, Martin G.; Willis, Anthony C. |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2016 |
Journal volume | 81 |
Journal issue | 17 |
Pages of publication | 8022 - 8028 |
a | 23.742 ± 0.0005 Å |
b | 7.5924 ± 0.0001 Å |
c | 7.887 ± 0.0002 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1421.7 ± 0.05 Å3 |
Cell temperature | 200 K |
Ambient diffraction temperature | 200 K |
Number of distinct elements | 4 |
Space group number | 29 |
Hermann-Mauguin space group symbol | P c a 21 |
Hall space group symbol | P 2c -2ac |
Residual factor for all reflections | 0.0351 |
Residual factor for significantly intense reflections | 0.0298 |
Weighted residual factors for all reflections | 0.0739 |
Weighted residual factors for significantly intense reflections | 0.0715 |
Weighted residual factors for all reflections included in the refinement | 0.0739 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.9888 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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