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Information card for entry 4026809
Preview
| Coordinates | 4026809.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C23 H29 N O6 |
|---|---|
| Calculated formula | C23 H29 N O6 |
| SMILES | [C@]123[C@]4(C(=O)C(=C1CCCCN3[C@@H](CC2)[C@@H]1C[C@@H](C(=O)O1)C)C)C(=C(C(=O)O4)C)OC.[C@@]123[C@@]4(C(=O)C(=C1CCCCN3[C@H](CC2)[C@H]1C[C@H](C(=O)O1)C)C)C(=C(C(=O)O4)C)OC |
| Title of publication | Total Synthesis of (\±)-Maistemonine, (\±)-Stemonamide, and (\±)-Isomaistemonine |
| Authors of publication | Zhi-Hua Chen; Zhi-Min Chen; Yong-Qiang Zhang; Yong-Qiang Tu; Fu-Min Zhang |
| Journal of publication | Journal of Organic Chemistry |
| Year of publication | 2011 |
| Journal volume | 76 |
| Pages of publication | 10173 - 10186 |
| a | 8.632 ± 0.007 Å |
| b | 11.038 ± 0.009 Å |
| c | 12.753 ± 0.011 Å |
| α | 105.682 ± 0.008° |
| β | 95.718 ± 0.009° |
| γ | 110.662 ± 0.007° |
| Cell volume | 1068.7 ± 1.5 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1294 |
| Residual factor for significantly intense reflections | 0.0785 |
| Weighted residual factors for significantly intense reflections | 0.2434 |
| Weighted residual factors for all reflections included in the refinement | 0.2693 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.07 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301812 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 4/02/ Each referenced PubChem compound corresponds to the full crystal structure. |
4026809.cif |
| 178447 | 2016-03-21 | cif/4/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/02/68. |
4026809.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4026809.cif |
| 40884 | 2012-03-08 | ../uploads/cif-deposit/cod/cif Adding structures of 4026809 via cif-deposit CGI script. |
4026809.cif |
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