Newly refined data for 6,6'-dibromo-3,3',4,4'-tetrahydro-1H,1'H-2,2'-spirobi[quinoline] AB1609
DOI: 10.14469/hpc/15032 Metadata
Created: 2025-03-12 15:16
Last modified: 2025-03-13 08:58
License: Creative Commons: Public Domain Dedication 1.0
Funding: (none given)
Description
Newly refinened using NOSPHERAT2
Files
| Filename | Size | Type | Description |
|---|---|---|---|
| AB1609 QM.cif | 268KB | chemical/x-cif | CIF Data |
| AB1609 QM checkCIF.pdf | 134KB | 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/2300 | Original data |
Subject Keywords
| Keyword | Value |
|---|---|
| inchi | InChI=1S/C10H11N2.C5H3Br.C2.Br.2H/c1-4-6-10(11)7-5-8(2)9(3)12-10;1-3-4-5(2)6;1-2;;;/h2,11-12H,4-7H2;2-4H;;;;/b;4-3-;;;;/t10-;;;;;/m0...../s1 |
| inchikey | WEPIGHFFECXNEN-AVOGVXQFSA-N |