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Information card for entry 1507742
Preview
| Coordinates | 1507742.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider; PubChem |
| Common name | Furanocembranolide-1 |
|---|---|
| Formula | C23 H26 O7 |
| Calculated formula | C23 H26 O7 |
| SMILES | O=C1O[C@@H]2C=C1[C@H](OC(=O)C)C[C@H](Cc1oc(C=C(C2)C)cc1C(=O)OC)C(=C)C |
| Title of publication | Application of the rodriguez-pattenden photo-ring contraction: total synthesis and configurational reassignment of 11-gorgiacerol and 11-epigorgiacerol. |
| Authors of publication | Weinstabl, Harald; Gaich, Tanja; Mulzer, Johann |
| Journal of publication | Organic letters |
| Year of publication | 2012 |
| Journal volume | 14 |
| Journal issue | 11 |
| Pages of publication | 2834 - 2837 |
| a | 6.4244 ± 0.0004 Å |
| b | 10.3175 ± 0.0006 Å |
| c | 16.0232 ± 0.001 Å |
| α | 90° |
| β | 90.012 ± 0.003° |
| γ | 90° |
| Cell volume | 1062.08 ± 0.11 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 2 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 all reflections | 0.082 |
| Residual factor for significantly intense reflections | 0.0485 |
| Weighted residual factors for significantly intense reflections | 0.1003 |
| Weighted residual factors for all reflections included in the refinement | 0.1158 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.005 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| 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. |
1507742.cif |
| 201954 | 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. |
1507742.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. |
1507742.cif |
| 91932 | 2013-12-28 | cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs. |
1507742.cif |
| 59831 | 2012-06-13 | cif/ Adding structures of 1507742 via cif-deposit CGI script. |
1507742.cif |
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Users of the data should acknowledge the original authors of the
structural data.