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Information card for entry 4026804
Preview
Coordinates | 4026804.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C16 H23 N O2 |
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Calculated formula | C16 H23 N O2 |
SMILES | C1(=O)CCC[C@@H]([C@@]2(CC[C@@H](C#C)N12)CC(=C)CC)O.C1(=O)CCC[C@H]([C@]2(CC[C@H](C#C)N12)CC(=C)CC)O |
Title of publication | Total Synthesis of (\±)-Maistemonine, (\±)-Stemonamide, and (\±)-Isomaistemonine |
Authors of publication | Zhi-Hua Chen; Zhi-Min Chen; Yong-Qiang Zhang; Yong-Qiang Tu; Fu-Min Zhang |
Journal of publication | Journal of Organic Chemistry |
Year of publication | 2011 |
Journal volume | 76 |
Pages of publication | 10173 - 10186 |
a | 12.247 ± 0.007 Å |
b | 9.209 ± 0.005 Å |
c | 13.959 ± 0.008 Å |
α | 90° |
β | 114.35 ± 0.007° |
γ | 90° |
Cell volume | 1434.3 ± 1.4 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 4 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.1086 |
Residual factor for significantly intense reflections | 0.0557 |
Weighted residual factors for significantly intense reflections | 0.1061 |
Weighted residual factors for all reflections included in the refinement | 0.126 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.982 |
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/4026804.html
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