Newly refined data for 6,6',8,8'-tetrabromo-3,3',4,4'-tetrahydro-1H,1'H-2,2'-spirobi[quinoline] AB1608B
DOI: 10.14469/hpc/15040 Metadata
Created: 2025-03-12 16:20
Last modified: 2025-03-13 08:56
License: Creative Commons: Public Domain Dedication 1.0
Funding: (none given)
Description
Refined using NOSPHERAT2
Files
| Filename | Size | Type | Description |
|---|---|---|---|
| AB1608b QM.cif | 323KB | chemical/x-cif | CIF Data |
| AB1608b QM checkCIF.pdf | 144KB | 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 | 10.14469/hpc/2301 | Original data |
Subject Keywords
| Keyword | Value |
|---|---|
| inchi | InChI=1S/C17H14Br3N2.Br/c18-12-8-11-5-7-17(22-16(11)14(20)9-12)6-4-10-2-1-3-13(19)15(10)21-17;/h2-3,8-9,21-22H,4-7H2;/t17-;/m0./s1 |
| inchikey | DYUVHKYEFOMUFA-LMOVPXPDSA-N |