Takashi Mino; Yoshiaki Shirae; Masami Sakamoto; Tsutomu Fujita; Journal of Organic Chemistry 70 (2005) 2191–2194; doi:10.1021/jo048107i

data_4020157
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              2191
_journal_page_last               2194
_journal_paper_doi               10.1021/jo048107i
_journal_volume                  70
_journal_year                    2005
_chemical_compound_source        ?
_chemical_formula_analytical     ?
_chemical_formula_moiety         'C16 H17 Cl N4 Pd '
_chemical_formula_structural     ?
_chemical_formula_sum            'C16 H17 Cl N4 Pd'
_chemical_formula_weight         407.19
_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'
_cell_angle_alpha                90
_cell_angle_beta                 105.846(4)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.940(2)
_cell_length_b                   15.739(4)
_cell_length_c                   13.357(3)
_cell_measurement_reflns_used    0
_cell_measurement_temperature    296.2
_cell_measurement_theta_max      0.0
_cell_measurement_theta_min      0.0
_cell_volume                     1605.7(6)
_diffrn_ambient_temperature      296.2
_diffrn_measurement_device       'Bruker Smart1000 CCD'
_diffrn_measurement_method       \w-2\q
_diffrn_orient_matrix_UB_11      0.00000
_diffrn_orient_matrix_UB_12      0.00000
_diffrn_orient_matrix_UB_13      0.00000
_diffrn_orient_matrix_UB_21      0.00000
_diffrn_orient_matrix_UB_22      0.00000
_diffrn_orient_matrix_UB_23      0.00000
_diffrn_orient_matrix_UB_31      0.00000
_diffrn_orient_matrix_UB_32      0.00000
_diffrn_orient_matrix_UB_33      0.00000
_diffrn_radiation_detector       'scintillation counter'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.05600
_diffrn_reflns_av_sigmaI/netI    0.145
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -7
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_reduction_process 'Lp corrections applied'
_diffrn_reflns_theta_max         28.71
_diffrn_reflns_theta_min         1.29
_diffrn_standards_decay_%        0.00
_diffrn_standards_interval_count 0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.324
_exptl_absorpt_correction_T_max  0.585
_exptl_absorpt_correction_T_min  0.365
_exptl_absorpt_correction_type   empirical
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.684
_exptl_crystal_density_meas      ?
_exptl_crystal_description       prism
_exptl_crystal_F_000             816.00
_exptl_crystal_size_max          0.50
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.05
_reflns_number_gt                1850
_reflns_number_total             3951
_reflns_threshold_expression     I>3.00\s(I)
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_original_formula_sum        'C16 H17 Cl N4 Pd '
_cod_database_code               4020157