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_7105137
_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            'C120 H120 Cl8 F8 N20 O20'
_chemical_formula_weight         2597.96
_chemical_name_systematic
;
?
;
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                98.761(2)
_cell_angle_beta                 105.321(2)
_cell_angle_gamma                105.399(2)
_cell_formula_units_Z            4
_cell_length_a                   24.1005(6)
_cell_length_b                   24.1347(6)
_cell_length_c                   24.1394(7)
_cell_measurement_temperature    293(2)
_cell_volume                     12676.5(6)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.867
_diffrn_measured_fraction_theta_max 0.867
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  0.0564
_diffrn_reflns_av_sigmaI/netI    0.0794
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            56969
_diffrn_reflns_theta_full        43.99
_diffrn_reflns_theta_max         43.99
_diffrn_reflns_theta_min         2.31
_exptl_absorpt_coefficient_mu    2.345
_exptl_crystal_density_diffrn    1.361
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             5392
_refine_diff_density_max         1.058
_refine_diff_density_min         -0.801
_refine_diff_density_rms         0.208
_refine_ls_extinction_coef       0.00000(3)
_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   1.958
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1310
_refine_ls_number_reflns         16838
_refine_ls_number_restraints     17
_refine_ls_restrained_S_all      1.958
_refine_ls_R_factor_all          0.3605
_refine_ls_R_factor_gt           0.2310
_refine_ls_shift/su_max          2.365
_refine_ls_shift/su_mean         0.034
_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          0.5091
_refine_ls_wR_factor_ref         0.5967
_reflns_number_gt                7210
_reflns_number_total             16838
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b910435f.txt
_cod_data_source_block           shelxd
_cod_database_code               7105137