Heteromeric double helix formation by cross-hybridization of chloro-and fluoro-substituted quinoline oligoamides.
Gan, Quan; Li, Fei; Li, Guoping; Kauffmann, Brice; Xiang, Junfeng; Huc, Ivan; Jiang, Hua; Chemical communications (Cambridge, England) 46 (2009) 297–299; doi:10.1039/b910435f

data_7105138
_publ_section_title
;
 Heteromeric double helix formation by cross-hybridization of
 chloro-and fluoro-substituted quinoline oligoamides.
;
_journal_issue                   2
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              297
_journal_page_last               299
_journal_paper_doi               10.1039/b910435f
_journal_volume                  46
_journal_year                    2009
_chemical_formula_sum            'C118 H114 Cl8 N16 O19'
_chemical_formula_weight         2343.86
_chemical_name_systematic
;
?
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 114.01(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   31.428(6)
_cell_length_b                   36.642(7)
_cell_length_c                   24.101(5)
_cell_measurement_reflns_used    379
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      2.31
_cell_measurement_theta_min      44.00
_cell_volume                     25353(9)
_computing_cell_refinement       'SAINT(Siemens, 1996)'
_computing_data_collection       'Proteum2 suite'
_computing_data_reduction        'SAINT(Siemens, 1996)'
_computing_publication_material  'WinGX publication routines (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.990
_diffrn_measured_fraction_theta_max 0.990
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'rotating anode'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  0.0630
_diffrn_reflns_av_sigmaI/netI    0.0626
_diffrn_reflns_limit_h_max       28
_diffrn_reflns_limit_h_min       -28
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       -32
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            56066
_diffrn_reflns_theta_full        44.00
_diffrn_reflns_theta_max         44.00
_diffrn_reflns_theta_min         2.31
_exptl_absorpt_coefficient_mu    2.182
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.228
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       'thin needles'
_exptl_crystal_F_000             10384
_exptl_crystal_size_max          0.5
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.05
_refine_diff_density_max         0.599
_refine_diff_density_min         -0.449
_refine_diff_density_rms         0.133
_refine_ls_extinction_coef       0.000000
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.264
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1424
_refine_ls_number_reflns         9628
_refine_ls_number_restraints     1106
_refine_ls_restrained_S_all      1.581
_refine_ls_R_factor_all          0.2104
_refine_ls_R_factor_gt           0.1389
_refine_ls_shift/su_max          0.156
_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          0.3449
_refine_ls_wR_factor_ref         0.3872
_reflns_number_gt                4469
_reflns_number_total             9628
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b910435f.txt
_cod_data_source_block           squeezed
_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               7105138