Control of Oxygen Atom Chirality and Chelate Ring Conformation by Protected/Free Sugar Hydroxyl Groups in Glucose-Pendant Dipicolylamine-Copper(II) Complexes
Yuji Mikata; Yuko Sugai; Shigenobu Yano; Inorganic Chemistry 43 (2004) 4778–4780; doi:10.1021/ic0496323

data_4311440
_publ_contact_author_email       mikata@cc.nara-wu.ac.jp
_publ_contact_author_fax         +81-742-20-3095
_publ_contact_author_name        'Yuji Mikata'
_publ_contact_author_phone       +81-742-20-3095
_publ_section_title
;
 Control of Oxygen Atom Chirality and Chelate Ring Conformation by
 Protected/Free Sugar Hydroxyl Groups in Glucose-Pendant
 Dipicolylamine-Copper(II) Complexes
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              4778
_journal_page_last               4780
_journal_paper_doi               10.1021/ic0496323
_journal_volume                  43
_journal_year                    2004
_chemical_formula_moiety         'C22 H34 Cu N5 O12 '
_chemical_formula_sum            'C22 H34 Cu N5 O12'
_chemical_formula_weight         624.08
_space_group_IT_number           4
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      4
_symmetry_space_group_name_Hall  'P 2yb'
_symmetry_space_group_name_H-M   'P 1 21 1'
_audit_creation_date             2003-08-08
_audit_creation_method           'by CrystalStructure v3.00'
_cell_angle_alpha                90
_cell_angle_beta                 104.383(4)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   8.7208(7)
_cell_length_b                   16.3103(11)
_cell_length_c                   9.8981(8)
_cell_measurement_reflns_used    5021
_cell_measurement_temperature    173.1
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.5
_cell_volume                     1363.77(18)
_computing_cell_refinement       CrystalClear
_computing_data_collection       CrystalClear
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure Ver. 3.00'
_computing_structure_refinement  CRYSTALS
_computing_structure_solution    SIR92
_diffrn_detector_area_resol_mean 14.62
_diffrn_measured_fraction_theta_full 0.9867
_diffrn_measured_fraction_theta_max 0.9867
_diffrn_measurement_device_type  'Rigaku Mercury'
_diffrn_measurement_method       omega
_diffrn_radiation_type           'Mo Kalpha'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.042
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            10547
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_exptl_absorpt_coefficient_mu    0.871
_exptl_absorpt_correction_T_max  0.917
_exptl_absorpt_correction_T_min  0.748
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    1.520
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             652.00
_exptl_crystal_size_max          0.50
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.65
_refine_diff_density_min         -0.47
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.947
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     394
_refine_ls_number_reflns         3188
_refine_ls_R_factor_gt           0.0330
_refine_ls_shift/su_max          0.0000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[0.0001Fo^2^ + 3.0000sigma^2^(Fo) + 0.5000]/(4Fo^2^)'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0860
_reflns_number_gt                3076
_reflns_number_total             2998
_reflns_threshold_expression     F^2^>2.0sigma(F^2^)
_cod_data_source_file            ic0496323si20040319_012731.cif
_cod_data_source_block           '__GlcDPA-Cu'
_cod_original_cell_volume        1363.8(2)
_cod_original_formula_sum        'C22 H34 Cu N5 O12 '
_cod_database_code               4311440