The influence of tetraphenylethylene moieties on the emissive properties of dipyrrolonaphthyridinediones
Sadowski, Bartłomiej; Su, Shih-Hao; Lin, Ta-Chun; Lohrey, Trevor D.; Deperasińska, Irena; Chou, Pi-Tai; Gryko, Daniel T.; Journal of Materials Chemistry C 6 (2018) 12306–; doi:10.1039/C8TC03880E

data_7237497
_publ_section_title
;
 The influence of tetraphenylethylene moieties on the emissive properties
 of dipyrrolonaphthyridinediones
;
_journal_issue                   45
_journal_name_full               'Journal of Materials Chemistry C'
_journal_page_first              12306
_journal_paper_doi               10.1039/C8TC03880E
_journal_volume                  6
_journal_year                    2018
_chemical_formula_moiety         'C80 H72 N2 O2'
_chemical_formula_sum            'C80 H72 N2 O2'
_chemical_formula_weight         1093.39
_space_group_crystal_system      triclinic
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_space_group_name_Hall           '-P 1'
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_atom_sites_solution_secondary   difmap
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_cell_volume                     1495.5(2)
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_computing_molecular_graphics    ORTEP-32
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_diffrn_measurement_device_type  'Bruker D8 with PHOTON 100 detector'
_diffrn_measurement_method       '\f and \w shutterless scans'
_diffrn_radiation_monochromator  'silicon 111'
_diffrn_radiation_type           synchrotron
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_diffrn_reflns_Laue_measured_fraction_full 0.999
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_diffrn_reflns_limit_h_max       11
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_diffrn_reflns_theta_min         2.273
_diffrn_source                   'Advanced Light Source, station 12.2.1'
_exptl_absorpt_coefficient_mu    0.074
_exptl_absorpt_correction_T_max  0.7453
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_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            red
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_refine_ls_restrained_S_all      1.042
_refine_ls_R_factor_all          0.1020
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.1367P)^2^+0.1210P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_number_gt                3691
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_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c8tc03880e3.cif
_cod_data_source_block           shelx
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_atom_sites_solution_secondary' value 'diffmap' was
changed to 'difmap'.

Automatic conversion script
Id: cif_fix_values 6909 2019-04-08 15:41:33Z antanas 
;
_cod_database_code               7237497
_shelx_shelxl_version_number     2014/7
_shelx_res_checksum              73092
_shelx_hkl_checksum              9707