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Information card for entry 1502295
Preview
| Coordinates | 1502295.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C24 H31 N2 O6.5 |
|---|---|
| Calculated formula | C24 H31 N2 O6.5 |
| SMILES | O=C1O[C@@]23[C@@H]4N(CCC4)[C@@H](C2)[C@H](CC3=C1)C1=C2[C@]3([C@@H]4N(CCC4)[C@H]([C@H](O)C3)C2)OC1=O.O.O |
| Title of publication | Flueggines A and B, Two New Dimeric Indolizidine Alkaloids from Flueggea virosa |
| Authors of publication | Zhao, Bing-Xin; Wang, Ying; Zhang, Dong-Mei; Jiang, Ren-Wang; Wang, Guo-Cai; Shi, Jun-Min; Huang, Xiao-Jun; Chen, Wei-Min; Che, Chun-Tao; Ye, Wen-Cai |
| Journal of publication | Organic Letters |
| Year of publication | 2011 |
| Journal volume | 13 |
| Journal issue | 15 |
| Pages of publication | 3888 - 3891 |
| a | 7.4783 ± 0.0006 Å |
| b | 11.5713 ± 0.0008 Å |
| c | 13.3812 ± 0.0009 Å |
| α | 107.895 ± 0.006° |
| β | 90.072 ± 0.006° |
| γ | 93.959 ± 0.006° |
| Cell volume | 1098.97 ± 0.14 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 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 | 0.0492 |
| Residual factor for significantly intense reflections | 0.0441 |
| Weighted residual factors for significantly intense reflections | 0.1078 |
| Weighted residual factors for all reflections included in the refinement | 0.1172 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.045 |
| Diffraction radiation wavelength | 1.54184 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. |
1502295.cif |
| 210337 | 2018-09-02 | cif/1/ Updating bibliography in entries 1502295, 1516222. Marking entry 1516222 as a duplicate of entry 1502295. |
1502295.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. |
1502295.cif |
| 91932 | 2013-12-28 | cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs. |
1502295.cif |
| 86279 | 2013-05-21 | smi/1 Adding SMILES of compounds in non chiral groups removing the chirality marks. |
1502295.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
1502295.cif |
| 35598 | 2012-02-26 | ../uploads/cif-deposit/cod/cif Adding structures of 1502295 via cif-deposit CGI script. |
1502295.cif |
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Users of the data should acknowledge the original authors of the
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