Primary crystal structure data for Compound 33. Tetrakis((4-(ethoxycarbonyl)-1-(4-methoxybenzyl)-1H-pyrazol-5-yl)oxy)zirconium
DOI: 10.14469/hpc/11388 Metadata
Created: 2022-10-12 09:01
Last modified: 2024-07-03 14:00
License: Creative Commons: Public Domain Dedication 1.0
Funding: (none given)
Description
Primary crystal structure data for Tetrakis((4-(ethoxycarbonyl)-1-(4-methoxybenzyl)-1H-pyrazol-5-yl)oxy)zirconium (33)
Files
| Filename | Size | Type | Description |
|---|---|---|---|
| AB2121.cif | 723KB | chemical/x-cif | CIF processed data |
| AB2121.7z | 498MB | application/x-7z-compressed | g7z archive of primary crystal data |
| AB2121.tar.gz | 515MB | application/gzip | gzip archive of primary crystal data |
| 33.cdxml | 26KB | chemical/x-cdxml | Chemdraw connection table |
| 33.cdxml | 26KB | chemical/x-cdxml | Chemdraw connection table V2 |
| 33.png | 58KB | image/png | Image structure representation |
Member of collection / collaboration
| DOI | Description |
|---|---|
| 10.14469/hpc/11372 | Compound 33: Tetrakis((4-(ethoxycarbonyl)-1-(4-methoxybenzyl)-1H-pyrazol-5-yl)oxy)zirconium |
Associated DOIs
| Current dataset ... | DOI | Description |
|---|---|---|
| References | 10.5517/ccdc.csd.cc2d6q3g | CSD Entry: VIPKEO |
| isReferencedBy | 10.5517/ccdc.csd.cc2d6q3g | CSD Entry: VIPKEO |
Subject Keywords
| Keyword | Value |
|---|---|
| IFD.XRAY | Crystal structure |
| inchi | InChI=1S/4C14H16N2O4.Zr/c4*1-3-20-14(18)12-8-15-16(13(12)17)9-10-4-6-11(19-2)7-5-10;/h4*4-8,17H,3,9H2,1-2H3;/q;;;;+4/p-4 |
| inchikey | NBCBVPABRHVLHH-UHFFFAOYSA-J |
| SMILES | CCOC(C(C=N1)=C(O2)N1CC3=CC=C(OC)C=C3)=O[Zr]4256(O=C(OCC)C(C=N7)=C(O5)N7CC8=CC=C(OC)C=C8)(O=C(OCC)C(C=N9)=C(O6)N9CC%10=CC=C(OC)C=C%10)OC%11=C(C(OCC)=O4)C=NN%11CC%12=CC=C(OC)C=C%12 |