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Information card for entry 1506017
Preview
| Coordinates | 1506017.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider |
| Common name | 2S,3Z,8R-7-Oxo-deepoxysarcophytoxide |
|---|---|
| Formula | C20 H30 O2 |
| Calculated formula | C20 H30 O2 |
| SMILES | O1[C@H]2C=C(C)CCC(=O)[C@@H](CCC=C(C)CCC2=C(C1)C)C |
| Title of publication | Unusual transannular cyclization products of sarcophytoxide, a 14-membered marine cembranoid: anomalous stereochemistry of epoxide-ketone rearrangement. |
| Authors of publication | Nii, Keiji; Tagami, Keiko; Matsuoka, Keisuke; Munakata, Tatsuo; Ooi, Takashi; Kusumi, Takenori |
| Journal of publication | Organic letters |
| Year of publication | 2006 |
| Journal volume | 8 |
| Journal issue | 14 |
| Pages of publication | 2957 - 2960 |
| a | 4.928 ± 0.002 Å |
| b | 16.368 ± 0.006 Å |
| c | 10.973 ± 0.004 Å |
| α | 90° |
| β | 93.41 ± 0.03° |
| γ | 90° |
| Cell volume | 883.5 ± 0.6 Å3 |
| Cell temperature | 123.1 K |
| Number of distinct elements | 3 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for significantly intense reflections | 0.038 |
| Weighted residual factors for all reflections included in the refinement | 0.056 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.001 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 201954 (current) | 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. |
1506017.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. |
1506017.cif |
| 120071 | 2014-07-11 | Adding DOIs to range 1 structures. | 1506017.cif |
| 47930 | 2012-03-26 | ../uploads/cif-deposit/cod/cif Adding structures of 1506017 via cif-deposit CGI script. |
1506017.cif |
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Users of the data should acknowledge the original authors of the
structural data.