(Last updated May 2026)
Figure . The molecular diagram of Phenanthrenol.
| REFCODE | CUTCAW |
|---|---|
| Formula | C14 H10 O1 |
| Common Name | Phenanthrenol |
| IUPAC Systematic Name | Phenanthren-9-ol |
| Other Names | |
| CSD Refcodes | CUTCAW |
| Search Identifier | A |
| Scientist | Panos Karamertzanis |
| Date | 2009 |
| Publication | Friscic T, Lancaster RW, Fabian L, Karamertzanis PG PNAS 2010, 107 (30), 13216-13221 DOI: Open paper (10.1073/pnas.0915142107) |
| Energy model | 2 |
| Study_ID | 10 |
| Programs | Study_ID=20, CrystalOptimizer, DMACRYS (1.1.1) |
| Location on S Drive | \\CHEMISTRY_CPOSS\\0-EarlySearches\\home\\louise_price.eminerals\\Steroids\\phenanthrenol\\dmaflex |
| Potential Description | CrystalOptimizer with 13 torsion and 1 bond angles optimised. FIT potential and B3LYP inter and intra levels. |
| Intramolecular Description | B3LYP |
| Energy model | 1 |
| Study_ID | 20 |
| Programs | Rigid CrystalPredictor, DMACRYS (1.1.1) |
| Location on S Drive | \\CHEMISTRY_CPOSS\\0-EarlySearches\\home\\louise_price.eminerals\\Steroids\\phenanthrenol\\rigid |
| Potential Description | FIT potential and B3LYP6-31G(d,p) DMA. |
| Intramolecular Description | B3LYP/6-31Gd,p |
Figure . Crystal energy landscape of Phenanthrenol from previous work.
Table . Crystallographic information for CSD entries for Phenanthrenol. Different polymorphs are coloured differently.
| REFCODE | space group | Z’ | a / Å | b / Å | c / Å | α / ° | β / ° | γ / ° | density / g cm-3 | Form |
|---|---|---|---|---|---|---|---|---|---|---|
| CUTCAW | P212121 | 1.0 | 4.68187 | 12.3504 | 16.7658 | 90.0 | 90.0 | 90.0 | 1.3307 | None |
Table . Experimental information for CSD entries for Phenanthrenol.
| REFCODE | space group | R factor | T / K | Year | Comments |
|---|---|---|---|---|---|
| CUTCAW | P212121 | 3.99 | at 298 K | 2010 | 10.1073/pnas.0915142107 |
Make this table include whether polymorphs are solution-grown, sublimation grown, templated or otherwise. Add references.