Corrole and nucleophilic aromatic substitution are not incompatible: a novel route to 2,3-difunctionalized copper corrolates.
Stefanelli, M.; Mandoj, F.; Nardis, S.; Raggio, M.; Fronczek, F. R.; McCandless, G. T.; Smith, K. M.; Paolesse, R.; Organic & biomolecular chemistry 13 (2015) 6611–6618; doi:10.1039/c5ob00659g

data_7154524
_publ_section_title
;
 Corrole and nucleophilic aromatic substitution are not incompatible: a
 novel route to 2,3-difunctionalized copper corrolates.
;
_journal_issue                   23
_journal_name_full               'Organic &amp; biomolecular chemistry'
_journal_page_first              6611
_journal_page_last               6618
_journal_paper_doi               10.1039/c5ob00659g
_journal_volume                  13
_journal_year                    2015
_chemical_formula_moiety         'C51 H50 Cu N5 O3, C H Cl3 '
_chemical_formula_sum            'C52 H51 Cl3 Cu N5 O3'
_chemical_formula_weight         963.86
_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_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2015-03-30 deposited with the CCDC.
2015-05-05 downloaded from the CCDC.
;
_cell_angle_alpha                95.030(10)
_cell_angle_beta                 107.036(15)
_cell_angle_gamma                91.279(7)
_cell_formula_units_Z            2
_cell_length_a                   10.989(3)
_cell_length_b                   12.2170(18)
_cell_length_c                   18.019(3)
_cell_measurement_reflns_used    5918
_cell_measurement_temperature    90.0(5)
_cell_measurement_theta_max      67.39
_cell_measurement_theta_min      2.58
_cell_volume                     2301.1(8)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'ORTEP-3 for Windows (Farrugia, 1997)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      90.0(5)
_diffrn_measured_fraction_theta_full 0.967
_diffrn_measured_fraction_theta_max 0.936
_diffrn_measurement_device_type  'Bruker Kappa APEX-II DUO'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_monochromator  'QUAZAR multilayer optics'
_diffrn_radiation_source         'I\mS microfocus'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0637
_diffrn_reflns_av_unetI/netI     0.0619
_diffrn_reflns_Laue_measured_fraction_full 0.967
_diffrn_reflns_Laue_measured_fraction_max 0.936
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            27375
_diffrn_reflns_point_group_measured_fraction_full 0.967
_diffrn_reflns_point_group_measured_fraction_max 0.936
_diffrn_reflns_theta_full        67.000
_diffrn_reflns_theta_max         68.854
_diffrn_reflns_theta_min         2.577
_exptl_absorpt_coefficient_mu    2.666
_exptl_absorpt_correction_T_max  0.9486
_exptl_absorpt_correction_T_min  0.5863
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Sheldrick, 2004)'
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    1.391
_exptl_crystal_description       lath
_exptl_crystal_F_000             1004
_exptl_crystal_recrystallization_method
'Re-crystallisation from solvent: chloroform'
_exptl_crystal_size_max          0.240
_exptl_crystal_size_mid          0.110
_exptl_crystal_size_min          0.020
_refine_diff_density_max         1.300
_refine_diff_density_min         -1.176
_refine_diff_density_rms         0.119
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.048
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     586
_refine_ls_number_reflns         7993
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.048
_refine_ls_R_factor_all          0.0936
_refine_ls_R_factor_gt           0.0676
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.1211P)^2^+3.3600P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1878
_refine_ls_wR_factor_ref         0.2056
_reflns_Friedel_coverage         0.000
_reflns_number_gt                5930
_reflns_number_total             7993
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c5ob00659g2.cif
_cod_data_source_block           Compound3
_cod_database_code               7154524
_shelx_shelxl_version_number     2014/7
_shelx_estimated_absorpt_t_min   0.567
_shelx_estimated_absorpt_t_max   0.949