Polyfluorenes with Polyphenylene Dendron Side Chains: Toward Non-Aggregating, Light-Emitting Polymers
Sepas Setayesh; Andrew C. Grimsdale; Tanja Weil; Volker Enkelmann; Klaus Müllen; Farideh Meghdadi; Emil J. W. List; Günther Leising; Journal of the American Chemical Society 123 (2001) 946–953; doi:10.1021/ja0031220

data_4115434
_publ_section_title
;
 Polyfluorenes with Polyphenylene Dendron Side Chains: Toward
 Non-Aggregating, Light-Emitting Polymers
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              946
_journal_page_last               953
_journal_paper_doi               10.1021/ja0031220
_journal_volume                  123
_journal_year                    2001
_chemical_compound_source
;
?
;
_chemical_formula_moiety         ' C105 H72 Br2 Cl18 '
_chemical_formula_sum            'C105 H72 Br2 Cl18'
_chemical_formula_weight         2131.68
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_audit_creation_date             00-31-07
_audit_creation_method           CRYSTALS_ver_12-03-99
_cell_angle_alpha                94.951(4)
_cell_angle_beta                 101.792(3)
_cell_angle_gamma                90.832(4)
_cell_formula_units_Z            2
_cell_length_a                   11.1750(7)
_cell_length_b                   17.992(1)
_cell_length_c                   25.141(2)
_cell_measurement_temperature    150
_cell_measurement_theta_max      0
_cell_measurement_theta_min      0
_cell_volume                     4927.0(6)
_diffrn_measurement_method       \w/2\q
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.034
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_number            13992
_diffrn_reflns_theta_max         27.5
_diffrn_reflns_theta_min         0.00
_exptl_absorpt_coefficient_mu    1.36
_exptl_absorpt_correction_T_max  1.00
_exptl_absorpt_correction_T_min  1.00
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            ' white '
_exptl_crystal_density_diffrn    1.44
_exptl_crystal_description       ' plate '
_exptl_crystal_F_000             2159.92
_exptl_crystal_size_max          0.4
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.08
_refine_diff_density_max         2.08
_refine_diff_density_min         -0.83
_refine_ls_extinction_method     none
_refine_ls_number_parameters     1188
_refine_ls_number_reflns         6805
_refine_ls_R_factor_gt           0.0828
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details
;
Chebychev polynomial with 3 parameters, Carruthers & Watkin , 1979,
 3.08    -.227     1.97
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0880
_reflns_limit_h_max              13
_reflns_limit_h_min              0
_reflns_limit_k_max              22
_reflns_limit_k_min              -20
_reflns_limit_l_max              30
_reflns_limit_l_min              -30
_reflns_number_gt                6822
_reflns_number_total             27536
_reflns_threshold_expression     >0.00\s(I)
_cod_data_source_file            ja0031220.cif
_cod_data_source_block           sepdend
_cod_original_cell_volume        4926.9(10)
_cod_original_sg_symbol_H-M      'P -1 '
_cod_original_formula_sum        ' C105 H72 Br2 Cl18 '
_cod_database_code               4115434