Polymer-like complexes bridged by a fluorine substituent of the side arm in the 3′,5′-difluoro-4′-hydroxybenzyl-armed monoaza-15-crown-5 ether
Habata, Yoichi; Saeki, Tomomi; Akabori, Sadatoshi; Zhang, Xian X.; Bradshaw, Jerald S.; Chemical Communications  (2000) 1469–; doi:10.1039/b003451g

data_7110993
_publ_section_title
;
 Polymer-like complexes bridged by a fluorine substituent of the side arm
 in the 3&#x2032;,5&#x2032;-difluoro-4&#x2032;-hydroxybenzyl-armed
 monoaza-15-crown-5 ether
;
_journal_issue                   16
_journal_name_full               'Chemical Communications'
_journal_page_first              1469
_journal_paper_doi               10.1039/b003451g
_journal_year                    2000
_chemical_formula_sum            'C18 H25 F2 N2 O5 Rb S'
_chemical_formula_weight         504.93
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_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                 93.72(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.875(3)
_cell_length_b                   18.627(4)
_cell_length_c                   13.359(3)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    296.2
_cell_measurement_theta_max      11.7
_cell_measurement_theta_min      10.1
_cell_volume                     2203.8(10)
_computing_cell_refinement       'MSC/AFC Diffractometer Control'
_computing_data_collection       'MSC/AFC Diffractometer Control'
_computing_data_reduction        'teXsan Ver. 1.10'
_computing_publication_material  'teXsan Ver. 1.10'
_computing_structure_refinement  'teXsan Ver. 1.10'
_computing_structure_solution    SIR92
_diffrn_measured_fraction_theta_full 0.9997
_diffrn_measured_fraction_theta_max 0.9997
_diffrn_measurement_device_type  'Rigaku AFC5S'
_diffrn_measurement_method       \w-2\q
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.062
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            4294
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_standards_decay_%        0.60
_diffrn_standards_interval_count 150
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    2.384
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.695
_exptl_absorpt_correction_type   psi-scan
_exptl_absorpt_process_details   '(North, Phillips & Mathews, 1968)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.522
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prismatic
_exptl_crystal_size_max          0.250
_exptl_crystal_size_mid          0.250
_exptl_crystal_size_min          0.100
_refine_diff_density_max         1.39
_refine_diff_density_min         -1.19
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.016
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     262
_refine_ls_number_reflns         3882
_refine_ls_R_factor_gt           0.0596
_refine_ls_shift/su_max          0.0708
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^) + (0.05500(Max(Fo^2^,0) + 2Fc^2^)/3)^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1746
_reflns_number_gt                1236
_reflns_number_total             3883
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            b003451gsup1.cif
_cod_data_source_block           haba020/aza15FRb
_cod_original_formula_sum        'C18 H25 F2 N2 O5 Rb S '
_cod_database_code               7110993