Photocatalytic Heck–Matsuda reaction: selective arylation of N-vinyl- and N-allyl-lactams using Pd2(dba)3
Chávez-Vega, Tomás; Galdámez, Antonio; Lühr, Susan; Vilches-Herrera, Marcelo; New Journal of Chemistry 49 (2025) 9416–9420; doi:10.1039/D4NJ05413J

data_7063774
_publ_section_title
;
 Photocatalytic Heck--Matsuda reaction: selective arylation of N-vinyl-
 and N-allyl-lactams using Pd2(dba)3
;
_journal_issue                   22
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              9416
_journal_page_last               9420
_journal_paper_doi               10.1039/D4NJ05413J
_journal_volume                  49
_journal_year                    2025
_chemical_formula_moiety         'C18 H12 F3 N O2'
_chemical_formula_sum            'C18 H12 F3 N O2'
_chemical_formula_weight         331.29
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_space_group_name_Hall           '-P 1'
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Olex2 1.5
(compiled 2024.02.16 svn.r378c4104 for OlexSys, GUI svn.r6928)
;
_audit_update_record
;
2024-11-07 deposited with the CCDC.	2025-04-16 downloaded from the CCDC.
;
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_diffrn_ambient_temperature      293(2)
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_diffrn_measurement_device_type  'CCD area detector'
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_diffrn_radiation_monochromator  graphite
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_diffrn_reflns_theta_full        25.242
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_diffrn_source_current           30.0
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_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
 SADABS 2016/2: Krause, L., Herbst-Irmer, R., Sheldrick G.M. & Stalke D.,
 J. Appl. Cryst. 48 (2015) 3-10
;
_exptl_crystal_colour            colorless
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
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'w=1/[\s^2^(Fo^2^)+(0.1457P)^2^+1.1816P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2706
_refine_ls_wR_factor_ref         0.3154
_reflns_Friedel_coverage         0.000
_reflns_number_gt                1728
_reflns_number_total             2798
_reflns_threshold_expression     'I > 2\s(I)'
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_cod_depositor_comments          'Adding full bibliography for 7063774.cif.'
_cod_original_cell_volume        751.2(5)
_cod_database_code               7063774
_shelx_shelxl_version_number     2018/3
_shelx_estimated_absorpt_t_max   0.997
_shelx_estimated_absorpt_t_min   0.988
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
2.a Secondary CH2 refined with riding coordinates:
 C10(H10A,H10B)
2.b Aromatic/amide H refined with riding coordinates:
 C3(H3), C4(H4), C6(H6), C7(H7), C8(H8), C9(H9), C13(H13), C14(H14), C15(H15),
 C16(H16)
;
_shelx_res_checksum              9810
_shelx_hkl_checksum              85030
_olex2_submission_special_instructions 'No special instructions were received'