Templated synthesis of desymmetrized [2]catenanes with excellent translational selectivity.
Liu, Yi; Klivansky, Liana M.; Khan, Saeed I.; Zhang, Xiyun; Organic letters 9 (2007) 2577–2580; doi:10.1021/ol070970s

data_1505440
_publ_section_title
;
 Templated synthesis of desymmetrized [2]catenanes with excellent
 translational selectivity.
;
_journal_issue                   13
_journal_name_full               'Organic letters'
_journal_page_first              2577
_journal_page_last               2580
_journal_paper_doi               10.1021/ol070970s
_journal_volume                  9
_journal_year                    2007
_chemical_formula_sum            'C68.5 H76.5 F12 N4 O16.25 P2'
_chemical_formula_weight         1505.80
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_audit_creation_date             'Tue Mar 13 12:53:13 2007'
_audit_creation_method           'by teXsan'
_cell_angle_alpha                90
_cell_angle_beta                 90.402(1)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   13.711(1)
_cell_length_b                   38.401(3)
_cell_length_c                   26.934(2)
_cell_measurement_reflns_used    4066
_cell_measurement_temperature    179.2
_cell_measurement_theta_max      18.5
_cell_measurement_theta_min      2.0
_cell_volume                     14180.8(18)
_computing_cell_refinement       'Bruker-AXS SAINT v6.40'
_computing_data_collection       'Bruker-AXS SMART v5.631'
_computing_data_reduction        'Bruker-AXS SAINT v6.40'
_computing_publication_material  teXsan
_computing_structure_refinement  teXsan
_computing_structure_solution    SIR97
_diffrn_measured_fraction_theta_full 0.9989
_diffrn_measured_fraction_theta_max 0.9989
_diffrn_measurement_device_type  'Bruker APEX'
_diffrn_measurement_method       \w-scans
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.037
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       38
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            49999
_diffrn_reflns_theta_full        20.86
_diffrn_reflns_theta_max         20.86
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.162
_exptl_absorpt_correction_T_max  0.988
_exptl_absorpt_correction_T_min  0.850
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   'Blessing, 1995'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.410
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       platelike
_exptl_crystal_F_000             6268.00
_exptl_crystal_size_max          0.350
_exptl_crystal_size_mid          0.150
_exptl_crystal_size_min          0.075
_refine_diff_density_max         0.56
_refine_diff_density_min         -0.43
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   2.902
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_parameters     1170
_refine_ls_number_reflns         8050
_refine_ls_R_factor_all          0.1592
_refine_ls_R_factor_gt           0.0871
_refine_ls_shift/su_max          0.0089
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[\s^2^(Fo) + 0.00022|Fo|^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         0.1041
_refine_ls_wR_factor_ref         0.0938
_reflns_number_gt                8050
_reflns_number_total             14929
_reflns_threshold_expression     F^2^>3.0\s(F^2^)
_cod_data_source_file            ol070970ssi20070515_070726.cif
_cod_data_source_block           mf173bs_in_P2(1)/c
_cod_original_cell_volume        14181(1)
_cod_original_sg_symbol_H-M      'P 21/c     '
_cod_original_formula_sum        'C137 H153 F24 N8 O32.50 P4 '
_cod_database_code               1505440