Ligand-free copper-catalyzed regio- and stereoselective 1,1-alkylmonofluoroalkylation of terminal alkynes.
Lv, Yunhe; Pu, Weiya; Wang, Xiaoxing; Chemical communications (Cambridge, England) 56 (2020) 12933–12936; doi:10.1039/d0cc05887d

data_7127320
_publ_section_title
;
 Ligand-free copper-catalyzed regio- and stereoselective
 1,1-alkylmonofluoroalkylation of terminal alkynes.
;
_journal_issue                   85
_journal_name_full               'Chemical communications (Cambridge, England)'
_journal_page_first              12933
_journal_page_last               12936
_journal_paper_doi               10.1039/d0cc05887d
_journal_volume                  56
_journal_year                    2020
_chemical_formula_sum            'C30 H25 F N2 O5'
_chemical_formula_weight         512.52
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2017/1
_audit_update_record
;
2019-07-09 deposited with the CCDC.	2020-09-21 downloaded from the CCDC.
;
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_computing_structure_solution    'SHELXS-2017 (Sheldrick 2017)'
_diffrn_ambient_temperature      296(2)
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_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_type           MoK\a
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_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2017/1 (Sheldrick 2017)'
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_refine_ls_restrained_S_all      1.256
_refine_ls_R_factor_all          0.0874
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0936P)^2^+0.8309P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1798
_refine_ls_wR_factor_ref         0.1960
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3297
_reflns_number_total             4505
_reflns_threshold_expression     'I > 2\s(I)'
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_cod_data_source_block           1
_cod_depositor_comments          'Adding full bibliography for 7127320.cif.'
_cod_original_cell_volume        1288.87(12)
_cod_database_code               7127320
_shelx_shelxl_version_number     2017/1
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