Newly refined data for 3,3',4,4'-tetrahydro-1H,1'H-2,2'-spirobi[quinoline] AB1607
DOI: 10.14469/hpc/15031 Metadata
Created: 2025-03-12 15:14
Last modified: 2025-03-13 08:55
License: Creative Commons: Public Domain Dedication 1.0
Funding: (none given)
Description
Refined using NOSPHERAT2
Files
| Filename | Size | Type | Description |
|---|---|---|---|
| AB1607 QM.cif | 356KB | chemical/x-cif | CIF data |
| AB1607 QM checkCIF.pdf | 142KB | 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/2298 | Original data |
Subject Keywords
| Keyword | Value |
|---|---|
| inchi | InChI=1S/C11H11N2.C6H4.3H/c1-2-11(12)8-7-9-5-3-4-6-10(9)13-11;1-2-4-6-5-3-1;;;/h1,4-6,8,12-13H,2,7H2;1-4H;;;/t11-;;;;/m0..../s1 |
| inchikey | REAUWCNGSBPSBR-HZAYLZKLSA-N |