Alternating current polarity for electrochemical <i>de novo</i> synthesis of 3,3'-bisoxindoles.
Wang, Jian; Chen, Shenglin; Sun, Daokuan; Shen, Yirui; Zhao, Yufen; Wu, Ju; Chemical communications (Cambridge, England) 62 (2026) 5312–5316; doi:10.1039/d6cc00044d

data_7135338
_publ_section_title
;
 Alternating current polarity for electrochemical <i>de novo</i> synthesis
 of 3,3'-bisoxindoles.
;
_journal_issue                   18
_journal_name_full               'Chemical communications (Cambridge, England)'
_journal_page_first              5312
_journal_page_last               5316
_journal_paper_doi               10.1039/d6cc00044d
_journal_volume                  62
_journal_year                    2026
_chemical_formula_moiety         'C20 H16 F4 N2 O2'
_chemical_formula_sum            'C20 H16 F4 N2 O2'
_chemical_formula_weight         392.356
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_Int_Tables_number      2
_atom_sites_solution_primary     iterative
_audit_creation_date             2025-07-25
_audit_creation_method
;
Olex2 1.5-alpha
(compiled 2025.07.13 svn.rb7424aed for OlexSys, GUI svn.r7311)
;
_audit_update_record
;
2025-07-25 deposited with the CCDC.	2026-02-12 downloaded from the CCDC.
;
_cell_angle_alpha                79.310(1)
_cell_angle_beta                 87.117(1)
_cell_angle_gamma                86.788(1)
_cell_formula_units_Z            2
_cell_length_a                   7.4607(2)
_cell_length_b                   8.2686(2)
_cell_length_c                   14.3732(4)
_cell_measurement_reflns_used    9732
_cell_measurement_temperature    150
_cell_measurement_theta_max      68.24
_cell_measurement_theta_min      3.13
_cell_volume                     869.20(4)
_computing_cell_refinement       'SAINT V8.40B (?, 2016)'
_computing_data_reduction        'SAINT V8.40B (?, 2016)'
_computing_molecular_graphics    'Olex2 1.5-alpha (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5-alpha (Dolomanov et al., 2009)'
_computing_structure_refinement  'olex2.refine 1.5-alpha (Bourhis et al., 2015)'
_computing_structure_solution    'olex2.solve 1.5-alpha (Bourhis et al., 2015)'
_diffrn_ambient_temperature      150.00
_diffrn_measured_fraction_theta_full 0.9958
_diffrn_measured_fraction_theta_max 0.9953
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  0.0535
_diffrn_reflns_av_unetI/netI     0.0264
_diffrn_reflns_Laue_measured_fraction_full 0.9958
_diffrn_reflns_Laue_measured_fraction_max 0.9953
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            25634
_diffrn_reflns_point_group_measured_fraction_full 0.9958
_diffrn_reflns_point_group_measured_fraction_max 0.9953
_diffrn_reflns_theta_full        67.6786
_diffrn_reflns_theta_max         68.31
_diffrn_reflns_theta_min         3.13
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.095
_exptl_absorpt_correction_T_max  0.7531
_exptl_absorpt_correction_T_min  0.5846
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1127 before and 0.0624 after correction.
The Ratio of minimum to maximum transmission is 0.7763.
The \l/2 correction factor is Not present.
;
_exptl_crystal_colour            'clear colourless'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.499
_exptl_crystal_description       block
_exptl_crystal_F_000             405.712
_exptl_crystal_size_max          0.052
_exptl_crystal_size_mid          0.041
_exptl_crystal_size_min          0.031
_refine_diff_density_max         0.2818
_refine_diff_density_min         -0.1995
_refine_diff_density_rms         0.0425
_refine_ls_d_res_high            0.8297
_refine_ls_d_res_low             14.1121
_refine_ls_goodness_of_fit_ref   0.9499
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_constraints    24
_refine_ls_number_parameters     257
_refine_ls_number_reflns         3154
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.9499
_refine_ls_R_factor_all          0.0406
_refine_ls_R_factor_gt           0.0356
_refine_ls_shift/su_max          0.0007
_refine_ls_shift/su_mean         0.0000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0489P)^2^+0.4630P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0911
_refine_ls_wR_factor_ref         0.0950
_reflns_Friedel_coverage         0.0
_reflns_limit_h_max              8
_reflns_limit_h_min              -8
_reflns_limit_k_max              9
_reflns_limit_k_min              -9
_reflns_limit_l_max              17
_reflns_limit_l_min              0
_reflns_number_gt                2757
_reflns_number_total             3154
_reflns_threshold_expression     I>=2u(I)
_cod_data_source_file            d6cc00044d2.cif
_cod_data_source_block           3
_cod_depositor_comments
'Adding full bibliography for 7135337--7135338.cif.'
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7135338
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Aromatic/amide H refined with riding coordinates:
 C00G(H00G), C00O(H00O), C00P(H00P), C00Q(H00Q)
2.b Idealised Me refined as rotating group:
 C00K(H00a,H00b,H00c), C00L(H00d,H00e,H00f), C00N(H00h,H00i,H00j), C00S(H00k,
 H00l,H00m)
;
_olex2_submission_special_instructions 'No special instructions were received'