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Information card for entry 7116307
Preview
| Coordinates | 7116307.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | 30julb |
|---|---|
| Chemical name | 30julb |
| Formula | C24 H24 O4 |
| Calculated formula | C24 H24 O4 |
| SMILES | o1c(c2cc3OC([C@@H]4[C@H](C[C@@H](C)C(=O)C4)c3c(O)c2)(C)C)cc2c1cccc2 |
| Title of publication | Protecting group free enantiospecific total syntheses of structurally diverse natural products of the tetrahydrocannabinoid family. |
| Authors of publication | Dethe, Dattatraya H.; Erande, Rohan D.; Mahapatra, Samarpita; Das, Saikat; B, Vijay Kumar |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2015 |
| Journal volume | 51 |
| Journal issue | 14 |
| Pages of publication | 2871 |
| a | 8.814 ± 0.002 Å |
| b | 9.199 ± 0.003 Å |
| c | 24.64 ± 0.007 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1997.8 ± 1 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 3 |
| 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 | 0.1 |
| Residual factor for significantly intense reflections | 0.0526 |
| Weighted residual factors for significantly intense reflections | 0.1089 |
| Weighted residual factors for all reflections included in the refinement | 0.1227 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.083 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301857 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/11/ Each referenced PubChem compound corresponds to the full crystal structure. |
7116307.cif |
| 180277 | 2016-03-26 | cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/63. |
7116307.cif |
| 130949 | 2015-02-04 | cif/ Updating files of 7116307 Original log message: Adding full bibliography for 7116307.cif. |
7116307.cif |
| 129379 | 2015-01-06 | cif/ Adding structures of 7116307 via cif-deposit CGI script. |
7116307.cif |
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