C-H Functionalization of azines. Anodic dehydroaromatization of 9-(hetero)aryl-9,10-dihydroacridines
Shchepochkin, Alexandr; Chupakhin, Oleg N.; Charushin, Valery; Steglenko, Dmitry; Minkin, Vladimir I.; Rusinov, Gennady; Matern, Anatoly; RSC Adv.  (2016) –; doi:10.1039/C6RA17783B

data_7226104
_publ_section_title
;
 C-H Functionalization of azines. Anodic dehydroaromatization of
 9-(hetero)aryl-9,10-dihydroacridines
;
_journal_name_full               'RSC Adv.'
_journal_paper_doi               10.1039/C6RA17783B
_journal_year                    2016
_chemical_formula_moiety         'C20 H18 N2'
_chemical_formula_sum            'C20 H18 N2'
_chemical_formula_weight         286.38
_chemical_name_systematic
10-Methyl-9-(4-aminophenyl)-9,10-dihydroacridine
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_audit_update_record
;
2016-05-12 deposited with the CCDC.
2016-08-02 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 94.110(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.4601(3)
_cell_length_b                   10.9097(5)
_cell_length_c                   16.1704(6)
_cell_measurement_reflns_used    6286
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      30.78
_cell_measurement_theta_min      2.25
_cell_volume                     1488.64(10)
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.9997
_diffrn_measured_fraction_theta_max 0.8792
_diffrn_measurement_device_type  'Xcalibur 3'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0245
_diffrn_reflns_av_unetI/netI     0.0388
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            6286
_diffrn_reflns_theta_full        28.2205
_diffrn_reflns_theta_max         30.7834
_diffrn_reflns_theta_min         2.25
_exptl_absorpt_coefficient_mu    0.075
_exptl_crystal_colour            Colorless
_exptl_crystal_density_diffrn    1.2777
_exptl_crystal_description       prism
_exptl_crystal_F_000             608.2190
_exptl_crystal_recrystallization_method 'Re-crystallisation from solvent'
_refine_diff_density_max         0.288803
_refine_diff_density_min         -0.255237
_refine_diff_density_rms         0.055339
_refine_ls_d_res_high            0.693946
_refine_ls_d_res_low             9.041727
_refine_ls_goodness_of_fit_ref   1.055446
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_constraints    0
_refine_ls_number_parameters     270
_refine_ls_number_reflns         3487
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.055446
_refine_ls_R_factor_all          0.058199
_refine_ls_R_factor_gt           0.044044
_refine_ls_shift/su_max          0.0007
_refine_ls_shift/su_mean         0.0001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0750P)^2^+0.1000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.133602
_reflns_Friedel_coverage         0.0
_reflns_limit_h_max              11
_reflns_limit_h_min              -12
_reflns_limit_k_max              15
_reflns_limit_k_min              0
_reflns_limit_l_max              23
_reflns_limit_l_min              0
_reflns_number_gt                2779
_reflns_number_total             3487
_reflns_threshold_expression     I>=2u(I)
_cod_data_source_file            c6ra17783b2.cif
_cod_data_source_block           exp_144
_cod_original_cell_volume        1488.65(10)
_cod_database_code               7226104
_solvent_exptl_crystal_recrystallization_method ethanol