Dataset
single crystal X-ray diffraction (single-crystal X-ray diffraction)
Chemical Info
InChI | InChI=1S/C39H32OP2.C14H15N5.Ag.BF4/c1-39(2)33-25-15-27-35(41(29-17-7-3-8-18-29)30-19-9-4-10-20-30)37(33)40-38-34(39)26-16-28-36(38)42(31-21-11-5-12-22-31)32-23-13-6-14-24-32;1-2-3-6-11-10-19(18-17-11)14-9-15-12-7-4-5-8-13(12)16-14;;2-1(3,4)5/h3-28H,1-2H3;4-5,7-10H,2-3,6H2,1H3;;/q;;+1;-1 |
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SMILES | CC1(C)c2cccc(c2Oc2c1cccc2P(c1ccccc1)c1ccccc1)P(c1ccccc1)c1ccccc1.F[B-](F)(F)F.CCCCc1nnn(c1)c1cnc2c(n1)cccc2.[Ag+] |
InChI Key | IDSCLNFEPYNJHS-UHFFFAOYSA-N |
Molecular Formula | C53H47AgBF4N5OP2 |
Exact Mass | 1026.594 g/mol |
Data and Resources
Metadata Information
Field | Value |
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DOI | 10.14272/IDSCLNFEPYNJHS-UHFFFAOYSA-N/CHMO0000159 |
License URL | |
Source | https://www.chemotion-repository.net/inchikey/IDSCLNFEPYNJHS-UHFFFAOYSA-N/CHMO0000159 |
Version | |
Author | Laura Holzhauer |
Maintainer | Chemotion Repository |
Language | english |
MetadataCreated | 2024-09-06T19:51:49.313715 |
MetadataModified | 2024-09-08T04:00:25.199119 |
MetadataPublished | 2024-07-04 |
Field | Value |
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Measurement Technique | single crystal X-ray diffraction |
Measurement Variables |
Data-Source Molecule ID | Data-Source |
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No additional information available for this Dataset. |