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Information card for entry 1503167
Preview
| Coordinates | 1503167.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider; PubChem |
| Formula | C17 H25 N O3 |
|---|---|
| Calculated formula | C17 H25 N O3 |
| SMILES | O[C@H]1CCN(CCC[C@@]23[C@@]41C(=O)C[C@@H]2C[C@@H](CC3=O)C4)C |
| Title of publication | Palhinine A, a novel alkaloid from Palhinhaea cernua. |
| Authors of publication | Zhao, Fu-Wei; Sun, Qian-Yun; Yang, Fu-Mei; Hu, Guang-Wan; Luo, Ji-Feng; Tang, Gui-Hua; Wang, Yue-Hu; Long, Chun-Lin |
| Journal of publication | Organic letters |
| Year of publication | 2010 |
| Journal volume | 12 |
| Journal issue | 17 |
| Pages of publication | 3922 - 3925 |
| a | 9.1204 ± 0.0004 Å |
| b | 11.6853 ± 0.0004 Å |
| c | 14.1079 ± 0.0006 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1503.54 ± 0.11 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 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 | 0.0327 |
| Residual factor for significantly intense reflections | 0.0318 |
| Weighted residual factors for significantly intense reflections | 0.0906 |
| Weighted residual factors for all reflections included in the refinement | 0.0918 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.039 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301775 (current) | 2025-08-18 | Add cross-references to PubChem compounds in COD range 1/50 Each referenced PubChem compound corresponds to the full crystal structure. |
1503167.cif |
| 201954 | 2017-10-13 | cif/ Marking COD entries in range 1 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
1503167.cif |
| 176729 | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1503167.cif |
| 91932 | 2013-12-28 | cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs. |
1503167.cif |
| 37054 | 2012-03-01 | ../uploads/cif-deposit/cod/cif Adding structures of 1503167 via cif-deposit CGI script. |
1503167.cif |
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