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Information card for entry 1503677
Preview
| Coordinates | 1503677.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider; PubChem |
| Formula | C17 H17 N O6 |
|---|---|
| Calculated formula | C17 H17 N O6 |
| SMILES | N1([C@H]2[C@]3(O)c4cc5OCOc5cc4C(=O)O[C@@H]3[C@@H](O)C=C2CC1)C |
| Title of publication | Pancratium canariense as an important source of amaryllidaceae alkaloids. |
| Authors of publication | Cedrón, Juan C; Oberti, Juan C.; Estévez-Braun, Ana; Ravelo, Angel G.; Del Arco-Aguilar, Marcelino; López, Matías |
| Journal of publication | Journal of natural products |
| Year of publication | 2009 |
| Journal volume | 72 |
| Journal issue | 1 |
| Pages of publication | 112 - 116 |
| a | 8.163 ± 0.004 Å |
| b | 8.22 ± 0.005 Å |
| c | 11.652 ± 0.008 Å |
| α | 100.21 ± 0.11° |
| β | 101.26 ± 0.09° |
| γ | 91.22 ± 0.07° |
| Cell volume | 753.4 ± 0.9 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 1 |
| Hermann-Mauguin space group symbol | P 1 |
| Hall space group symbol | P 1 |
| Residual factor for all reflections | 0.0928 |
| Residual factor for significantly intense reflections | 0.0707 |
| Weighted residual factors for significantly intense reflections | 0.1592 |
| Weighted residual factors for all reflections included in the refinement | 0.1753 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.028 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| 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. |
1503677.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. |
1503677.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. |
1503677.cif |
| 91932 | 2013-12-28 | cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs. |
1503677.cif |
| 38976 | 2012-03-07 | ../uploads/cif-deposit/cod/cif Adding structures of 1503677, 1503678 via cif-deposit CGI script. |
1503677.cif |
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Users of the data should acknowledge the original authors of the
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