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Information card for entry 1505501
Preview
| Coordinates | 1505501.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | Iodo-Compound |
|---|---|
| Chemical name | Myrionine hydroiodide, compound 10 |
| Formula | C15 H27 I2 N2 O |
| Calculated formula | C15 H27 I2 N2 O |
| SMILES | [I-].[NH2+]1CCC[C@@H]2CCC[C@H]([C@H]12)CN1C(=O)CCCC1.I[I-]I.[NH2+]1CCC[C@@H]2CCC[C@H]([C@H]12)CN1C(=O)CCCC1 |
| Title of publication | Solution and crystal conformations of myrionine, a new 8beta-alkyl-cis-decahydroquinoline of Myrioneuron nutans. |
| Authors of publication | Pham, Van Cuong; Jossang, Akino; Chiaroni, Angèle; Sévenet, Thierry; Nguyen, Van Hung; Bodo, Bernard |
| Journal of publication | Organic letters |
| Year of publication | 2007 |
| Journal volume | 9 |
| Journal issue | 18 |
| Pages of publication | 3531 - 3534 |
| a | 19.778 ± 0.012 Å |
| b | 8.141 ± 0.005 Å |
| c | 12.696 ± 0.008 Å |
| α | 90° |
| β | 109 ± 0.03° |
| γ | 90° |
| Cell volume | 1933 ± 2 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 5 |
| Hermann-Mauguin space group symbol | C 1 2 1 |
| Hall space group symbol | C 2y |
| Residual factor for all reflections | 0.0539 |
| Residual factor for significantly intense reflections | 0.0406 |
| Weighted residual factors for significantly intense reflections | 0.0867 |
| Weighted residual factors for all reflections included in the refinement | 0.0934 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.03 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176729 (current) | 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. |
1505501.cif |
| 171452 | 2015-12-11 | cif/ (antanas@echidna.ibt.lt) Removing surrounding qoutes ("'") from the _chemical_name_systematic tag values in multiple entries in range 1. |
1505501.cif |
| 120071 | 2014-07-11 | Adding DOIs to range 1 structures. | 1505501.cif |
| 45675 | 2012-03-20 | ../uploads/cif-deposit/cod/cif Adding structures of 1505501 via cif-deposit CGI script. |
1505501.cif |
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