Preparation and Luminescence Properties of Polymers Containing Dialkoxyacenes
Tsai, Mu-Lin; Liu, Ching-Yang; Wang, Ya-Yun; Chen, Jao-yu; Chou, Teh-Chang; Lin, Hsiu-Mei; Tsai, Sheng-Heng; Chow, Tahsin J.; Chemistry of Materials 16 (2004) 3373–3380; doi:10.1021/cm049431x

data_4000445
_publ_section_title
;
 Preparation and Luminescence Properties of Polymers Containing Dialkoxyacenes
;
_journal_coden_ASTM              CMATEX
_journal_issue                   17
_journal_name_full               'Chemistry of Materials'
_journal_page_first              3373
_journal_page_last               3380
_journal_paper_doi               10.1021/cm049431x
_journal_volume                  16
_journal_year                    2004
_chemical_formula_moiety         'C21 H18 O2'
_chemical_formula_sum            'C21 H18 O2'
_chemical_formula_weight         302.35
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_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
_cell_angle_alpha                85.567(17)
_cell_angle_beta                 87.28(2)
_cell_angle_gamma                73.885(19)
_cell_formula_units_Z            4
_cell_length_a                   10.719(3)
_cell_length_b                   11.444(2)
_cell_length_c                   13.315(3)
_cell_measurement_temperature    293(2)
_cell_measurement_wavelength     0.71073
_cell_volume                     1563.9(6)
_diffrn_ambient_temperature      293(2)
_diffrn_detector                 'scintillation LiI'
_diffrn_detector_dtime           1.195
_diffrn_measured_fraction_theta_full 1
_diffrn_measured_fraction_theta_max 1
_diffrn_measurement_device       '\k-geometry diffractometer'
_diffrn_measurement_device_type  'Enraf Nonius TurboCAD4'
_diffrn_measurement_method       'non-profiled omega/2theta scans'
_diffrn_orient_matrix_type
;
  x-axis points to radiation source
  the matrix is specified in reciprocal space
;
_diffrn_orient_matrix_UB_11      0.061076
_diffrn_orient_matrix_UB_12      -0.067692
_diffrn_orient_matrix_UB_13      0.03999
_diffrn_orient_matrix_UB_21      -0.026221
_diffrn_orient_matrix_UB_22      -0.061034
_diffrn_orient_matrix_UB_23      -0.038
_diffrn_orient_matrix_UB_31      0.070846
_diffrn_orient_matrix_UB_32      0.001391
_diffrn_orient_matrix_UB_33      -0.051335
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0278
_diffrn_reflns_av_unetI/netI     0.1085
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       0
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            5749
_diffrn_reflns_theta_full        24.97
_diffrn_reflns_theta_max         24.97
_diffrn_reflns_theta_min         1.53
_diffrn_source                   'Enraf Nonius FR590'
_diffrn_standards_decay_%        2
_diffrn_standards_interval_time  60
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    0.081
_exptl_absorpt_correction_T_max  0.9759
_exptl_absorpt_correction_T_min  0.9011
_exptl_absorpt_correction_type   psi-scan
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.284
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             640
_exptl_crystal_size_max          0.5
_exptl_crystal_size_mid          0.38
_exptl_crystal_size_min          0.28
_refine_diff_density_max         0.29
_refine_diff_density_min         -0.225
_refine_diff_density_rms         0.045
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.02
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     442
_refine_ls_number_reflns         5491
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.02
_refine_ls_R_factor_all          0.1896
_refine_ls_R_factor_gt           0.0515
_refine_ls_shift/su_max          0.287
_refine_ls_shift/su_mean         0.027
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0834P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1445
_refine_ls_wR_factor_ref         0.2011
_reflns_number_gt                2058
_reflns_number_total             5491
_reflns_threshold_expression     >2sigma(I)
_cod_database_code               4000445
_exptl_absorpt_factor_mur        0.023
_exptl_absorpt_correction_t_ave  0.9371
_diffrn_standards_decay_corr_max 1.075
_diffrn_standards_decay_corr_min 0.975