Synthesis, photophysical properties and color tuning of highly fluorescent 9,10-disubstituted-2,3,6,7-tetraphenylanthracene.
Lin, Sheng-Hsun; Wu, Fang-Iy; Liu, Rai-Shung; Chemical communications (Cambridge, England)  (2009) 6961–6963; doi:10.1039/b912289c

data_7105035
_publ_section_title
;
 Synthesis, photophysical properties and color tuning of highly
 fluorescent 9,10-disubstituted-2,3,6,7-tetraphenylanthracene.
;
_journal_issue                   45
_journal_name_full               'Chemical communications (Cambridge, England)'
_journal_page_first              6961
_journal_page_last               6963
_journal_paper_doi               10.1039/b912289c
_journal_year                    2009
_chemical_formula_sum            'C38 H49 Si'
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_symmetry_space_group_name_Hall  '-P 1'
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_atom_sites_solution_secondary   difmap
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_cell_angle_gamma                75.5150(10)
_cell_formula_units_Z            2
_cell_length_a                   8.3308(2)
_cell_length_b                   14.4923(4)
_cell_length_c                   16.8856(4)
_cell_measurement_reflns_used    9990
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_cell_measurement_theta_max      25
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_cell_volume                     1786.59(8)
_computing_cell_refinement       'Bruker APEX2'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker Saint'
_computing_molecular_graphics    'Bruker APEX2'
_computing_publication_material  'Bruker APEX2'
_computing_structure_refinement  'Shelxtl-97 (Sheldrick, 2008)'
_computing_structure_solution    'Shelxtl-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
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_diffrn_reflns_limit_h_max       11
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_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
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_diffrn_reflns_number            33607
_diffrn_reflns_theta_full        28.33
_diffrn_reflns_theta_max         28.33
_diffrn_reflns_theta_min         1.61
_exptl_absorpt_coefficient_mu    0.087
_exptl_absorpt_correction_T_max  0.7457
_exptl_absorpt_correction_T_min  0.7043
_exptl_absorpt_correction_type   empirical
_exptl_crystal_colour            Yellow
_exptl_crystal_density_diffrn    0.992
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    .
_exptl_crystal_description       Columnar
_exptl_crystal_F_000             582
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_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.348
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_refine_ls_extinction_method     none
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_refine_ls_number_reflns         8871
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_refine_ls_restrained_S_all      1.044
_refine_ls_R_factor_all          0.0508
_refine_ls_R_factor_gt           0.0425
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0647P)^2^+0.6726P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1229
_refine_ls_wR_factor_ref         0.1284
_reflns_number_gt                7384
_reflns_number_total             8871
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b912289c.txt
_cod_data_source_block           08dc38lts
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
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_sg_symbol_H-M      P-1
_cod_database_code               7105035