Newly refined data for 1,3,10,12-tetrabromo-5,5a,6,7,7a,8,13,14-octahydrocyclopentadiquinoline, AB1709 V2
DOI: 10.14469/hpc/15038 Metadata
Created: 2025-03-12 15:36
Last modified: 2025-03-13 10:20
License: Creative Commons: Public Domain Dedication 1.0
Funding: (none given)
Description
Refined using NOSPHERAT2, V2
Files
| Filename | Size | Type | Description |
|---|---|---|---|
| AB1709 QM v2.cif | 363KB | chemical/x-cif | CIF Data |
| AB1709 QM v2 checkCIF.pdf | 135KB | application/pdf | CheckCIF report |
Member of collection / collaboration
| DOI | Description |
|---|---|
| 10.14469/hpc/15030 | Crystallography meets DFT Quantum modelling |
Associated DOIs
| Current dataset ... | DOI | Description |
|---|---|---|
| References | 0.14469/hpc/2339 | Original data |
Subject Keywords
| Keyword | Value |
|---|---|
| inchi | InChI=1S/C19H16Br4N2/c20-13-5-9-3-11-1-2-12-4-10-6-14(21)8-16(23)18(10)25-19(11,12)24-17(9)15(22)7-13/h5-8,11-12,24-25H,1-4H2/t11-,12-,19-/m1/s1 |
| inchikey | FZNJHESBYWJKTJ-HNYWDRBLSA-N |