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Information card for entry 7112937
Preview
Coordinates | 7112937.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C19 H20 N2 O5 |
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Calculated formula | C19 H20 N2 O5 |
SMILES | O=C1CCN2C[C@]1(c1[nH]c3c(c1C[C@H]2C(=O)OC)cccc3)C(=O)OC |
Title of publication | Total synthesis and absolute configuration determination of (+)-subincanadine F. |
Authors of publication | Chen, Pinhong; Cao, Lidong; Tian, Wenhai; Wang, Xinfeng; Li, Chaozhong |
Journal of publication | Chemical communications (Cambridge, England) |
Year of publication | 2010 |
Journal volume | 46 |
Journal issue | 44 |
Pages of publication | 8436 - 8438 |
a | 7.8077 ± 0.0009 Å |
b | 10.4954 ± 0.0012 Å |
c | 21.518 ± 0.003 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1763.3 ± 0.4 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 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 | 0.0535 |
Residual factor for significantly intense reflections | 0.0387 |
Weighted residual factors for significantly intense reflections | 0.0831 |
Weighted residual factors for all reflections included in the refinement | 0.0879 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.933 |
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/7112937.html
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Users of the data should acknowledge the original authors of the
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