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Information card for entry 1547012
Preview
Coordinates | 1547012.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | LCM1-059P |
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Chemical name | sarpong92 |
Formula | C20 H22 O5 |
Calculated formula | C20 H22 O5 |
SMILES | C1(=O)[C@]2([C@H](CC[C@H]([C@H]2C(=O)Cc2cc(ccc12)OC)C=O)OC)C=C.C1(=O)[C@@]2([C@@H](CC[C@@H]([C@@H]2C(=O)Cc2cc(ccc12)OC)C=O)OC)C=C |
Title of publication | Magnesiate Addition/Ring-Expansion Strategy To Access the 6-7-6 Tricyclic Core of Hetisine-Type C20-Diterpenoid Alkaloids. |
Authors of publication | Pflueger, Jason J.; Morrill, Louis C.; deGruyter, Justine N; Perea, Melecio A.; Sarpong, Richmond |
Journal of publication | Organic letters |
Year of publication | 2017 |
Journal volume | 19 |
Journal issue | 17 |
Pages of publication | 4632 - 4635 |
a | 9.2809 ± 0.0004 Å |
b | 12.2308 ± 0.0006 Å |
c | 15.3442 ± 0.0007 Å |
α | 90° |
β | 105.217 ± 0.002° |
γ | 90° |
Cell volume | 1680.7 ± 0.13 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 3 |
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 | 0.0403 |
Residual factor for significantly intense reflections | 0.0361 |
Weighted residual factors for significantly intense reflections | 0.0917 |
Weighted residual factors for all reflections included in the refinement | 0.0955 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.036 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/1547012.html
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Users of the data should acknowledge the original authors of the
structural data.