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Information card for entry 1542304
Preview
Coordinates | 1542304.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C19 H24 N2 O |
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Calculated formula | C19 H24 N2 O |
SMILES | OC[C@@H]1[C@H]2C[C@@H](n3c4ccccc4c(c13)C)N(CC\2=C\C)C |
Title of publication | Alstoscholarisines H-J, Indole Alkaloids from Alstonia scholaris: Structural Evaluation and Bioinspired Synthesis of Alstoscholarisine H. |
Authors of publication | Pan, Zhiqiang; Qin, Xu-Jie; Liu, Ya-Ping; Wu, Ting; Luo, Xiao-Dong; Xia, Chengfeng |
Journal of publication | Organic letters |
Year of publication | 2016 |
Journal volume | 18 |
Journal issue | 4 |
Pages of publication | 654 - 657 |
a | 6.955 ± 0.0003 Å |
b | 10.6206 ± 0.0004 Å |
c | 23.9572 ± 0.001 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1769.63 ± 0.13 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 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 | 0.0806 |
Residual factor for significantly intense reflections | 0.0779 |
Weighted residual factors for significantly intense reflections | 0.2095 |
Weighted residual factors for all reflections included in the refinement | 0.2165 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.184 |
Diffraction radiation wavelength | 1.54178 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/1542304.html
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