Two-photon pumped lasing stilbene-type chromophores containing various terminal donor groups: relationship between lasing efficiency and intramolecular charge transfer
Wang, Xiao-Mei; Zhou, Yu-Fang; Yu, Wen-Tao; Wang, Chun; Fang, Qi; Jiang, Min-Hua; Lei, Hong; Wang, He-Zhou; Journal of Materials Chemistry 10 (2000) 2698–; doi:10.1039/b006764o

data_7204032
_publ_section_title
;
 Two-photon pumped lasing stilbene-type chromophores containing various
 terminal donor groups: relationship between lasing efficiency and
 intramolecular charge transfer
;
_journal_issue                   12
_journal_name_full               'Journal of Materials Chemistry'
_journal_page_first              2698
_journal_paper_doi               10.1039/b006764o
_journal_volume                  10
_journal_year                    2000
_chemical_formula_sum            'C18 H27 I N2 O2'
_chemical_formula_weight         430.32
_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                 119.257(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   21.4380(12)
_cell_length_b                   14.9682(11)
_cell_length_c                   14.0446(10)
_cell_measurement_reflns_used    50
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      14.83
_cell_measurement_theta_min      5.14
_cell_volume                     3931.9(5)
_computing_cell_refinement       'Bruker XSVANS'
_computing_data_collection       'Bruker XSVANS'
_computing_data_reduction        'Bruker XSVANS'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Bruker P4'
_diffrn_measurement_method       \w/2\q
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0257
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_diffrn_reflns_limit_h_max       25
_diffrn_reflns_limit_h_min       -1
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_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            4090
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         2.01
_diffrn_standards_decay_%        1
_diffrn_standards_interval_count 97
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    1.640
_exptl_absorpt_correction_T_max  0.540
_exptl_absorpt_correction_T_min  0.512
_exptl_absorpt_correction_type   psi-scan
_exptl_absorpt_process_details   'Bruker XSCANS'
_exptl_crystal_colour            Dark-red
_exptl_crystal_density_diffrn    1.454
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1744
_exptl_crystal_size_max          0.38
_exptl_crystal_size_mid          0.35
_exptl_crystal_size_min          0.31
_refine_diff_density_max         0.525
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_refine_ls_number_reflns         3473
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_refine_ls_restrained_S_all      1.028
_refine_ls_R_factor_all          0.0709
_refine_ls_R_factor_gt           0.0451
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0451P)^2^+14.0790P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1077
_refine_ls_wR_factor_ref         0.1240
_reflns_number_gt                2457
_reflns_number_total             3473
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b006764o.txt
_cod_data_source_block           DEASPI
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from
2010-06-29.

'_exptl_absorpt_correction_type' value 'Psi-scan' changed to
'psi-scan' according to
'/home/saulius/struct/CIF-dictionaries/cif_core.dic' dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_cell_volume        3931.8(5)
_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               7204032