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Information card for entry 1504182
Preview
| Coordinates | 1504182.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C24 H36 Cl N2 O7 |
|---|---|
| Calculated formula | C24 H36 Cl N2 O7 |
| SMILES | N12[C@]34O[C@H]5[C@@H]2[C@@](O[C@H]5CO)(O)C[C@H]4[C@H]2C[C@@H]4N(CC[C@]34c3ccccc13)C[C@H]2CC.O.O.O.[Cl-] |
| Title of publication | Melohenines A and B, two unprecedented alkaloids from Melodinus henryi |
| Authors of publication | Feng, Tao; Cai, Xiang-Hai; Li, Yan; Wang, Yuan-Yuan; Liu, Ya-Ping; Xie, Ming-Jin; Luo, Xiao-Dong |
| Journal of publication | Organic Letters |
| Year of publication | 2009 |
| Journal volume | 11 |
| Journal issue | 21 |
| Pages of publication | 4834 - 4837 |
| a | 9.268 ± 0.003 Å |
| b | 13.934 ± 0.005 Å |
| c | 19.073 ± 0.006 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2463.1 ± 1.4 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.2274 |
| Residual factor for significantly intense reflections | 0.0817 |
| Weighted residual factors for significantly intense reflections | 0.1638 |
| Weighted residual factors for all reflections included in the refinement | 0.2339 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.973 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 218689 (current) | 2019-09-22 | cif/1/ Updated bibliographic information in entries 1504182-1504183, 1504183 |
1504182.cif |
| 176435 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2. |
1504182.cif |
| 91932 | 2013-12-28 | cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs. |
1504182.cif |
| 86399 | 2013-07-09 | smi/1 Adding simplified SMILES for compounds with Z'>1 in subdir 1 |
1504182.cif |
| 39471 | 2012-03-07 | ../uploads/cif-deposit/cod/cif Adding structures of 1504182 via cif-deposit CGI script. |
1504182.cif |
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Users of the data should acknowledge the original authors of the
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