{
  "source": "ORD Dataset Wishlist",
  "snapshot_date": "2026-09-25",
  "ord_wishlist_status_at_snapshot": "Available",
  "ord_wishlist_card": "https://github.com/orgs/open-reaction-database/projects/11?pane=issue&itemId=126570042",
  "ord_data_issue": null,
  "title": "Design and Application of a Screening Set for Monophosphine Ligands in Cross-Coupling",
  "doi": "10.1021/acscatal.2c01970",
  "journal": "ACS Catalysis",
  "publication_date": "2022-06-16",
  "authors": [
    "Tobias Gensch",
    "Sleight R. Smith",
    "Thomas J. Colacot",
    "Yam N. Timsina",
    "Guolin Xu",
    "Ben W. Glasspoole",
    "Matthew S. Sigman"
  ],
  "article_open_access": {
    "status": "closed",
    "license": null
  },
  "dataset_size_estimate": null,
  "experiment_type": null,
  "ord_priority": null,
  "ord_difficulty": null,
  "source_data_kind": "si_pdf_tables",
  "smiles_in_source": "unknown",
  "needs_author_contact": false,
  "data_locations": [
    {
      "url": "https://doi.org/10.1021/acscatal.2c01970",
      "what": "ACS Catalysis article (2022) with Supporting Information PDF containing the ligand screening-set validation experiments",
      "license": "ACS publisher terms (closed article; Crossref lists only ACS TDM/VOR policies)"
    },
    {
      "url": "https://doi.org/10.26434/chemrxiv-2021-fgm7v",
      "what": "ChemRxiv preprint linked via Crossref has-preprint; may carry its own SI files",
      "license": "unknown (ChemRxiv preprints are usually CC BY-NC-ND 4.0; not verified)"
    }
  ],
  "notes": "Paper: Gensch et al., ACS Catalysis 2022, doi:10.1021/acscatal.2c01970 (closed access; a ChemRxiv preprint exists at doi:10.26434/chemrxiv-2021-fgm7v). The experimental validation data for the monophosphine screening set is in the Supporting Information PDF, and no spreadsheet or repository version is known to be public. Transcribe the reaction tables from the SI PDF. Write ligand structures as SMILES from the names or structures given in the paper. Cite the paper DOI in the Dataset. The SI PDF is under ACS terms; the curated ORD records are the deliverable, not the source file.",
  "verification_caveats": "The validation may cover more than one cross-coupling reaction class, so multiple reaction templates are possible and the dataset might be split by reaction type. Ligands must be encoded with explicit SMILES because P-ligand names can be ambiguous. Whether outcomes are tabulated yields or plotted values is unverified."
}