(Last updated April 2026)
Figure . The molecular diagram of Benzophenanthrene.
| REFCODE | BZPHAN |
|---|---|
| Formula | C18 H12 |
| Common Name | Benzophenanthrene |
| IUPAC Systematic Name | Benzo(c)phenanthrene |
| Other Names | |
| CSD Refcodes | BZPHAN |
| Search Identifier | A |
| Scientist | Emiliana D'Oria |
| Date | pre-2010 |
| Publication | D'Oria E, Karamertzanis PG, Price SL 2010. Cryst Growth Des 10, 1749-1756. DOI: Open paper (10.1021/cg9014306) |
| Energy model | 1 |
| Study_ID | 1 |
| Programs | MOLPAK, DMACRYS (1.0.1) |
| Location on S Drive | \\CHEMISTRY_CPOSS\\0-EarlySearches\\home\\louise_price.eminerals\\BZPHAN_will01 |
| Potential Description | DMA + WILL01 |
| Intramolecular Description | MP2/6-31G(d,p) |
| Search Identifier | B |
| Scientist | Emiliana D'Oria |
| Date | pre-2010 |
| Publication | See Study_ID=1 |
| Energy model | 1 |
| Study_ID | 0 |
| Programs | MOLPAK, DMAREL (4.1.1) |
| Location on S Drive | \\CHEMISTRY_CPOSS\\0-EarlySearches\\home\\louise_price.eminerals\\BZPHAN_fit |
| Potential Description | DMA + FIT |
| Intramolecular Description | MP2/6-31G(d,p) |
| Search Identifier | C |
| Scientist | Emiliana D'Oria |
| Date | pre-2010 |
| Publication | See Study_ID=1 |
| Energy model | 1 |
| Study_ID | 10 |
| Programs | MOLPAK, dmaflex (2), DMACRYS (1.1.1) |
| Location on S Drive | \\CHEMISTRY_CPOSS\\0-EarlySearches\\home\\louise_price.eminerals\\BZPHAN_dmaflex |
| Potential Description | DMA + WILL01 |
| Intramolecular Description | MP2/6-31G(d,p) |
Figure . Crystal energy landscape of Benzophenanthrene from previous work.
Table . Crystallographic information for CSD entries for Benzophenanthrene. Different polymorphs are coloured differently.
| REFCODE | space group | Z’ | a / Å | b / Å | c / Å | α / ° | β / ° | γ / ° | density / g cm-3 | Form |
|---|---|---|---|---|---|---|---|---|---|---|
| BZPHAN | P212121 | 1.0 | 14.66 | 14.157 | 5.785 | 90.0 | 90.0 | 90.0 | 1.2629 | None |
| BZPHAN01 | P212121 | 1.0 | 14.451 | 13.884 | 5.8 | 90.0 | 90.0 | 90.0 | 1.3030 | None |
Table . Experimental information for CSD entries for Benzophenanthrene.
| REFCODE | space group | R factor | T / K | Year | Comments |
|---|---|---|---|---|---|
| BZPHAN | P212121 | 9.0 | None | 1963 | 10.1039/JR9630002108 |
| BZPHAN01 | P212121 | 4.8 | at 120 K | 2000 | 10.1021/ja002072w |
Make this table include whether polymorphs are solution-grown, sublimation grown, templated or otherwise. Add references.