New Method for the Synthesis of N-tert-Alkoxyarylaminyl Radicals
Yozo Miura; Yoshikazu Muranaka; Yoshio Teki; Journal of Organic Chemistry 71 (2006) 4786–4794; doi:10.1021/jo0600959

data_4021756
_publ_section_title
;
 New Method for the Synthesis of N-tert-Alkoxyarylaminyl Radicals
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              4786
_journal_page_last               4794
_journal_paper_doi               10.1021/jo0600959
_journal_volume                  71
_journal_year                    2006
_chemical_formula_moiety         'C30 H35 N2 O2 '
_chemical_formula_sum            'C30 H35 N2 O2'
_chemical_formula_weight         455.62
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_audit_creation_date             'Mon Nov 28 10:37:58 2005'
_audit_creation_method           'by teXsan'
_audit_update_record
;
2006-01-18  Received for J. Org. Chem. manuscript jo00959
            Minor syntax errors corrected (JOC/pH)
;
_cell_angle_alpha                90
_cell_angle_beta                 97.120(7)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.470(2)
_cell_length_b                   36.980(6)
_cell_length_c                   6.8100(8)
_cell_measurement_reflns_used    3659
_cell_measurement_temperature    223.2
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      4.0
_cell_volume                     2616.4(7)
_computing_cell_refinement       CRYSTALCLEAR
_computing_data_collection       CRYSTALCLEAR
_computing_data_reduction        'teXsan Ver. 2.0'
_computing_publication_material  'teXsan Ver. 2.0'
_computing_structure_refinement  'teXsan Ver. 2.0'
_computing_structure_solution    SIR92
_diffrn_detector_area_resol_mean 14.63
_diffrn_measured_fraction_theta_full 0.9727
_diffrn_measured_fraction_theta_max 0.9727
_diffrn_measurement_device_type  'Rigaku/MSC Mercury CCD'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.071
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       38
_diffrn_reflns_limit_k_min       -47
_diffrn_reflns_limit_l_max       5
_diffrn_reflns_limit_l_min       -8
_diffrn_reflns_number            20344
_diffrn_reflns_theta_full        27.49
_diffrn_reflns_theta_max         27.49
_exptl_absorpt_coefficient_mu    0.072
_exptl_absorpt_correction_T_max  0.996
_exptl_absorpt_correction_T_min  0.366
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(Jacobson, 1998)'
_exptl_crystal_colour            Red
_exptl_crystal_density_diffrn    1.157
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Needle
_exptl_crystal_F_000             980.00
_exptl_crystal_size_max          0.350
_exptl_crystal_size_mid          0.060
_exptl_crystal_size_min          0.050
_refine_diff_density_max         0.26
_refine_diff_density_min         -0.28
_refine_ls_extinction_coef       0.000005
_refine_ls_extinction_method     'Zachariasen(1967) type 2 Gaussian isotropic'
_refine_ls_goodness_of_fit_ref   1.434
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     316
_refine_ls_number_reflns         2548
_refine_ls_R_factor_gt           0.0941
_refine_ls_shift/su_max          0.0006
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^) + (0.10000(Max(Fo^2^,0) + 2Fc^2^)/3)^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.2242
_reflns_number_gt                2548
_reflns_number_total             5841
_reflns_threshold_expression     F^2^>2.4\s(F^2^)
_cod_data_source_file            jo0600959si20060118_054034.cif
_cod_original_sg_symbol_H-M      'P 21/n       '
_cod_original_formula_sum        'C30 H35 N2 O2 '
_cod_database_code               4021756