(Last updated April 2026)
Figure . The molecular diagram of Equilinin.
| REFCODE | QQQAMM |
|---|---|
| Formula | C18 H18 O2 |
| Common Name | equilinin |
| IUPAC Systematic Name | 3-Hydroxyestra-1,3,5(10),6,8-pentaen-17-one |
| Other Names | |
| CSD Refcodes | QQQAMM01 |
| 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\\equilinin_dmaflex |
| Potential Description | MP2 6-31G(d,p DMA(v2.1)+ 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\\equilinin |
| Potential Description | MP2 6-31G(d,p DMA(v2.1)+ fit.pots |
| Intramolecular Description | MP2 6-31G(d,p) |
Figure . Crystal energy landscape of Equilinin from previous work.
Table . Crystallographic information for CSD entries for Equilinin. Different polymorphs are coloured differently.
| REFCODE | space group | Z’ | a / Å | b / Å | c / Å | α / ° | β / ° | γ / ° | density / g cm-3 | Form |
|---|---|---|---|---|---|---|---|---|---|---|
| QQQAMM01 | P212121 | 1.0 | 7.27709 | 7.32686 | 25.5179 | 90.0 | 90.0 | 90.0 | 1.3002 | None |
Table . Experimental information for CSD entries for Equilinin.
| REFCODE | space group | R factor | T / K | Year | Comments |
|---|---|---|---|---|---|
| QQQAMM01 | P212121 | 2.92 | 100 K | 2017 | 10.1107/S2056989017010532 |
Make this table include whether polymorphs are solution-grown, sublimation grown, templated or otherwise. Add references.