(Last updated June 2026)
Figure . The molecular diagram of 3,8,9-Trinitro-5H-dibenzo(b,d)pyran-5-one.
| REFCODE | CIVTUW |
|---|---|
| Formula | C13 H5 N3 O8 |
| Common Name | |
| IUPAC Systematic Name | 3,8,9-Trinitro-5H-dibenzo(b,d)pyran-5-one |
| Other Names | |
| CSD Refcodes | CIVTUW, CIVTUW01 |
| Search Identifier | A |
| Scientist | Not sure |
| Date | pre-2010 |
| Publication | No publication planned. |
| Energy model | 1 |
| Study_ID | 0 |
| Programs | MOLPAK, DMAREL (4.1.1) |
| Location on S Drive | \\CHEMISTRY_CPOSS\\0-EarlySearches\\home\\louise_price.eminerals\\Trinitro-5H-dibenzo-bd-pyran-5-one |
| Potential Description | FIT |
| Intramolecular Description | MP2/6-31G(d,p) |
Figure . Crystal energy landscape of 3,8,9-Trinitro-5H-dibenzo(b,d)pyran-5-one from previous work.
Table . Crystallographic information for CSD entries for 3,8,9-Trinitro-5H-dibenzo(b,d)pyran-5-one. Different polymorphs are coloured differently.
| REFCODE | space group | Z’ | a / Å | b / Å | c / Å | α / ° | β / ° | γ / ° | density / g cm-3 | Form |
|---|---|---|---|---|---|---|---|---|---|---|
| CIVTUW | P212121 | 1.0 | 5.027 | 10.379 | 24.756 | 90.0 | 90.0 | 90.0 | 1.7031 | orthorhombic polymorph |
| CIVTUW01 | P1121/n | 1.0 | 7.455 | 10.295 | 18.085 | 90.0 | 90.0 | 104.98 | 1.6406 | monoclinic polymorph |
Table . Experimental information for CSD entries for 3,8,9-Trinitro-5H-dibenzo(b,d)pyran-5-one.
| REFCODE | space group | R factor | T / K | Year | Comments |
|---|---|---|---|---|---|
| CIVTUW | P212121 | 2.9 | None | 1986 | None |
| CIVTUW01 | P1121/n | 3.2 | None | 1986 | None |
Make this table include whether polymorphs are solution-grown, sublimation grown, templated or otherwise. Add references.