Newly refined data for 1,4,10,11,12,13-hexahydro-[1,3]diazepinodiquinoline AB1701
DOI: 10.14469/hpc/15037 Metadata
Created: 2025-03-12 15:32
Last modified: 2025-03-13 08:55
License: Creative Commons: Public Domain Dedication 1.0
Funding: (none given)
Description
Refined usng NOSPHERAT2
Files
| Filename | Size | Type | Description |
|---|---|---|---|
| AB1701 QM.cif | 305KB | chemical/x-cif | CIF Data |
| AB1701 QM checkCIF.pdf | 139KB | application/pdf | CheckCIF Report |
Member of collection / collaboration
| DOI | Description |
|---|---|
| 10.14469/hpc/15030 | Crystallography meets DFT Quantum modelling |
Subject Keywords
| Keyword | Value |
|---|---|
| inchi | InChI=1S/C18H16N2.C3H3.3H/c1-15-7-6-11-18-12-10-16-8-2-3-9-17(16)20(18)14-5-4-13-19(15)18;1-3-2;;;/h1-6,9-10H,11-14H2;1-3H;;;/t18-;;;;/m0..../s1 |
| inchikey | FYCWKTGWEIXOGJ-DEXDRMDJSA-N |