(Last updated April 2026)
Figure . The molecular diagram of Equilin.
| REFCODE | GODTIC |
|---|---|
| Formula | C18 H20 O2 |
| Common Name | equilin |
| IUPAC Systematic Name | 3-Hydroxy-13-methyl-6,9,11,12,13,14,15,16-octahydro-cyclopenta[a]phenanthren-17-one |
| Other Names | Estra-1,3,5(10),7-tetraen-17-one, 3-hydroxy-; Dihydroequilenin; 7-Dehydroestrone; 3-Hydroxyestra-1,3,5(10),7-tetraen-17-oneIsoindole-1,3-dione |
| CSD Refcodes | GODTIC |
| Search Identifier | A |
| Scientist | Not sure |
| Date | pre-2010 |
| Publication | No publication planned. |
| Energy model | 2 |
| Study_ID | 10 |
| Programs | Study_ID=0, dmaflex, DMAREL (4.1.1) |
| Location on S Drive | \\CHEMISTRY_CPOSS\\0-EarlySearches\\home\\louise_price.eminerals\\equilin_dmaflex |
| Potential Description | MP2 6-31G(d,p) DMA + fit.pots |
| Intramolecular Description | MP2 6-31G(d,p) |
| Energy model | 1 |
| Study_ID | 0 |
| Programs | MOLPAK, DMAREL (4.1.1) |
| Location on S Drive | \\CHEMISTRY_CPOSS\\0-EarlySearches\\home\\louise_price.eminerals\\equilin |
| Potential Description | MP2 6-31G(d,p) DMA + fit.pots |
| Intramolecular Description | MP2 6-31G(d,p) |
Figure . Crystal energy landscape of Equilin from previous work.
Table . Crystallographic information for CSD entries for Equilin. Different polymorphs are coloured differently.
| REFCODE | space group | Z’ | a / Å | b / Å | c / Å | α / ° | β / ° | γ / ° | density / g cm-3 | Form |
|---|---|---|---|---|---|---|---|---|---|---|
| GODTIC | P212121 | 1.0 | 6.5429 | 9.03450 | 23.8940 | 90.0 | 90.0 | 90.0 | 1.2619 | None |
Table . Experimental information for CSD entries for Equilin.
| REFCODE | space group | R factor | T / K | Year | Comments |
|---|---|---|---|---|---|
| GODTIC | P212121 | 5.0 | None | 1999 | 10.1107/S0108270198013250 |
Make this table include whether polymorphs are solution-grown, sublimation grown, templated or otherwise. Add references.