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Information card for entry 1542904
Preview
Coordinates | 1542904.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C24 H37 N O6 |
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Calculated formula | C24 H37 N O6 |
SMILES | O[C@]12[C@]3(CCC[C@@]42[C@H](N(C3)CC)[C@]2(CC1)[C@@H]1[C@H]4CC[C@]1(O)O[C@@H](CO)C2)C(=O)OCC.O[C@@]12[C@@]3(CCC[C@]42[C@@H](N(C3)CC)[C@@]2(CC1)[C@H]1[C@@H]4CC[C@@]1(O)O[C@H](CO)C2)C(=O)OCC |
Title of publication | Expeditious synthesis of the fused hexacycle of puberuline C via a radical-based cyclization/translocation/cyclization process |
Authors of publication | Hagiwara, Koichi; Tabuchi, Toshiki; Urabe, Daisuke; Inoue, Masayuki |
Journal of publication | Chem. Sci. |
Year of publication | 2016 |
Journal volume | 7 |
Journal issue | 7 |
Pages of publication | 4372 |
a | 8.0327 ± 0.0002 Å |
b | 9.3726 ± 0.0002 Å |
c | 16.1657 ± 0.0003 Å |
α | 77.401 ± 0.0013° |
β | 85.464 ± 0.0014° |
γ | 69.356 ± 0.0014° |
Cell volume | 1111.49 ± 0.04 Å3 |
Cell temperature | 93 ± 2 K |
Ambient diffraction temperature | 93 ± 2 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0539 |
Residual factor for significantly intense reflections | 0.0452 |
Weighted residual factors for significantly intense reflections | 0.1257 |
Weighted residual factors for all reflections included in the refinement | 0.131 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.278 |
Diffraction radiation wavelength | 1.54178 Å |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
185106 (current) | 2016-08-07 | cif/ Updating files of 1542904 Original log message: Adding full bibliography for 1542904.cif. |
1542904.cif |
178357 | 2016-03-19 | cif/ Adding structures of 1542904 via cif-deposit CGI script. |
1542904.cif |
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Users of the data should acknowledge the original authors of the
structural data.