Helical Stereocontrol of 2,6-Bis{(2-arylcarbamoylphenyl)carbamoyl}pyridine Derivatives by Use of Chiral Auxiliaries
Tatsuya Minami; Shigeru Koyamoto; Masayuki Kobayashi; Rika Tanaka; Yasuo Hatanaka; Chemistry Letters 34 (2005) 434–; doi:10.1246/cl.2005.434

data_8000036
_publ_section_title
;
 Helical Stereocontrol of
 2,6-Bis{(2-arylcarbamoylphenyl)carbamoyl}pyridine Derivatives by Use
 of Chiral Auxiliaries
;
_journal_issue                   3
_journal_name_full               'Chemistry Letters'
_journal_page_first              434
_journal_paper_doi               10.1246/cl.2005.434
_journal_volume                  34
_journal_year                    2005
_chemical_absolute_configuration syn
_chemical_formula_moiety         'C51 H43 N7 O6 '
_chemical_formula_sum            'C51 H43 N7 O6'
_chemical_formula_weight         849.94
_space_group_IT_number           19
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      19
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   20.673(2)
_cell_length_b                   11.733(2)
_cell_length_c                   18.113(3)
_cell_measurement_reflns_used    20
_cell_measurement_temperature    296.2
_cell_measurement_theta_max      29.9
_cell_measurement_theta_min      29.3
_cell_volume                     4393(1)
_computing_cell_refinement       'MSC/AFC Diffractometer Control'
_computing_data_collection       'MSC/AFC Diffractometer Control'
_computing_data_reduction        'teXsan Ver. 1.11'
_computing_publication_material  'teXsan Ver. 1.11'
_computing_structure_refinement  'teXsan Ver. 1.10'
_computing_structure_solution    SIR92
_diffrn_measured_fraction_theta_full 0.9976
_diffrn_measured_fraction_theta_max 0.9976
_diffrn_measurement_device_type  'Rigaku AFC7R'
_diffrn_measurement_method       \w-2\q
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.5418
_diffrn_reflns_limit_h_max       0
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            3335
_diffrn_reflns_theta_full        56.83
_diffrn_reflns_theta_max         56.83
_diffrn_standards_decay_%        0.23
_diffrn_standards_interval_count 150
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    0.697
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.908
_exptl_absorpt_correction_type   psi-scan
_exptl_absorpt_process_details   '(North, Phillips & Mathews, 1968)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.285
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prismatic
_exptl_crystal_F_000             1784.00
_exptl_crystal_size_max          0.500
_exptl_crystal_size_mid          0.450
_exptl_crystal_size_min          0.450
_refine_diff_density_max         0.25
_refine_diff_density_min         -0.28
_refine_ls_extinction_coef       0.18(2)
_refine_ls_extinction_method     'Zachariasen(1967) type 2 Gaussian isotropic'
_refine_ls_goodness_of_fit_ref   1.807
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     578
_refine_ls_number_reflns         2482
_refine_ls_R_factor_gt           0.0848
_refine_ls_shift/su_max          0.0000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^) + (0.14000(Max(Fo^2^,0) + 2Fc^2^)/3)^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.2418
_reflns_number_gt                2482
_reflns_number_total             3308
_reflns_threshold_expression     F^2^>3.0\s(F^2^)
_cod_original_sg_symbol_H-M      'P 21 21 21   '
_cod_original_formula_sum        'C51 H43 N7 O6 '
_cod_database_code               8000036