Sequence-selective assembly of tweezer molecules on linear templates enables frameshift-reading of sequence information.
Zhu, Zhixue; Cardin, Christine J.; Gan, Yu; Colquhoun, Howard M.; Nature chemistry 2 (2010) 653–660; doi:10.1038/nchem.699

data_1508069
_publ_section_title
;
 Sequence-selective assembly of tweezer molecules on linear templates
 enables frameshift-reading of sequence information.
;
_journal_issue                   8
_journal_name_full               'Nature chemistry'
_journal_page_first              653
_journal_page_last               660
_journal_paper_doi               10.1038/nchem.699
_journal_volume                  2
_journal_year                    2010
_chemical_formula_sum            'C87 H54 F3 Fe N4 O9 S'
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_chemical_name_systematic
;
 ?
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_atom_sites_solution_hydrogens   geom
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_atom_sites_solution_secondary   difmap
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;
2009-08-10 # Formatted by publCIF
;
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_cell_measurement_temperature    150(2)
_cell_volume                     18864.8(19)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.825
_diffrn_measured_fraction_theta_max 0.825
_diffrn_measurement_device_type  'Oxford Diffraction Gemini S Ultra'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0431
_diffrn_reflns_av_sigmaI/netI    0.0570
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_h_min       -32
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       -28
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       -30
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_diffrn_reflns_theta_max         61.64
_diffrn_reflns_theta_min         3.05
_exptl_absorpt_coefficient_mu    1.940
_exptl_absorpt_correction_T_max  .824
_exptl_absorpt_correction_T_min  .605
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.017
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       rhomb
_exptl_crystal_F_000             5960
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.3
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_platon_squeeze_details
;
;
_refine_diff_density_max         0.671
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_refine_ls_extinction_method     none
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_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     769
_refine_ls_number_reflns         12132
_refine_ls_number_restraints     1055
_refine_ls_restrained_S_all      1.332
_refine_ls_R_factor_all          0.2073
_refine_ls_R_factor_gt           0.1539
_refine_ls_shift/su_max          0.029
_refine_ls_shift/su_mean         0.002
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.2000P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.4028
_refine_ls_wR_factor_ref         0.4331
_reflns_number_gt                5996
_reflns_number_total             12832
_reflns_threshold_expression     >2\s(I)
_cod_data_source_file            nchem.699-s2.cif
_cod_data_source_block           '[8(2)+1]'
_cod_original_cell_volume        18864.8(18)
_cod_original_sg_symbol_Hall     'C -2yc'
_cod_database_code               1508069