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Information card for entry 7112937
Preview
| Coordinates | 7112937.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C19 H20 N2 O5 |
|---|---|
| Calculated formula | C19 H20 N2 O5 |
| SMILES | O=C1CCN2C[C@]1(c1[nH]c3c(c1C[C@H]2C(=O)OC)cccc3)C(=O)OC |
| Title of publication | Total synthesis and absolute configuration determination of (+)-subincanadine F. |
| Authors of publication | Chen, Pinhong; Cao, Lidong; Tian, Wenhai; Wang, Xinfeng; Li, Chaozhong |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2010 |
| Journal volume | 46 |
| Journal issue | 44 |
| Pages of publication | 8436 - 8438 |
| a | 7.8077 ± 0.0009 Å |
| b | 10.4954 ± 0.0012 Å |
| c | 21.518 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1763.3 ± 0.4 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.0535 |
| Residual factor for significantly intense reflections | 0.0387 |
| Weighted residual factors for significantly intense reflections | 0.0831 |
| Weighted residual factors for all reflections included in the refinement | 0.0879 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.933 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301857 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/11/ Each referenced PubChem compound corresponds to the full crystal structure. |
7112937.cif |
| 180243 | 2016-03-26 | cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/29. |
7112937.cif |
| 112170 | 2014-04-30 | cif/ Adding structures of 7112935, 7112936, 7112937 via cif-deposit CGI script. |
7112937.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.