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Information card for entry 1501798
Preview
Coordinates | 1501798.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C19 H23 N O5 |
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Calculated formula | C18.75 H22.25 N O5 |
SMILES | COc1ccc2c(c1O)[C@]13CCN([C@@](C1)(O)C(=O)C=C3C=C2)C.CO |
Title of publication | Cepharatines A-D, hasubanan-type alkaloids from Stephania cepharantha. |
Authors of publication | He, Li; Zhang, Yuan-Hu; Guan, Huan-Yu; Zhang, Jian-Xin; Sun, Qian-Yun; Hao, Xiao-Jiang |
Journal of publication | Journal of natural products |
Year of publication | 2011 |
Journal volume | 74 |
Journal issue | 2 |
Pages of publication | 181 - 184 |
a | 11.916 ± 0.002 Å |
b | 6.673 ± 0.0013 Å |
c | 21.319 ± 0.004 Å |
α | 90° |
β | 90.46 ± 0.03° |
γ | 90° |
Cell volume | 1695.1 ± 0.5 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 296 ± 2 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 | 0.0609 |
Residual factor for significantly intense reflections | 0.0551 |
Weighted residual factors for significantly intense reflections | 0.161 |
Weighted residual factors for all reflections included in the refinement | 0.1684 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.037 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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