single crystal X-ray diffraction...
URL: https://www.chemotion-repository.net/inchikey/PVJIKXGCCGUDBL-UHFFFAOYSA-L/CHMO0000159
Dataset description:
dataset for single crystal X-ray diffraction (single-crystal X-ray diffraction)\n\n
Source: single crystal X-ray diffraction (single-crystal X-ray diffraction)
Chemical Info
| InChI | InChI=1S/C42H56N10.2Cu.2HI/c1-39(2,3)33-21-25-49(45-33)37(50-26-22-34(46-50)40(4,5)6)31-17-13-15-29(43-31)19-20-30-16-14-18-32(44-30)38(51-27-23-35(47-51)41(7,8)9)52-28-24-36(48-52)42(10,11)12;;;;/h13-18,21-28,37-38H,19-20H2,1-12H3;;;2*1H/q;2*+1;;/p-2 |
|---|---|
| SMILES | CC(c1ccn(n1)C(n1ccc(n1)C(C)(C)C)c1cccc(n1)CCc1cccc(n1)C(n1ccc(n1)C(C)(C)C)n1ccc(n1)C(C)(C)C)(C)C.[Cu]I.[Cu]I |
| InChI Key | PVJIKXGCCGUDBL-UHFFFAOYSA-L |
| Molecular Formula | C42H56Cu2I2N10 |
| Exact Mass | 1081.862 g/mol |
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Additional Information
| Field | Value |
|---|---|
| Data last updated | September 8, 2024 |
| Metadata last updated | September 8, 2024 |
| Created | September 8, 2024 |
| Format | HTML |
| License | No License Provided |
| Id | ef04225f-ed41-469b-964b-59624ef5f815 |
| Package id | 10-14272-pvjikxgccgudbl-uhfffaoysa-l-chmo0000159 |
| Resource type | HTML |
| State | active |