Hydrogen bond-rigidified planar squaraine dye and its electronic and organic semiconductor properties.
Maeda, Takeshi; Liess, Andreas; Kudzus, Astrid; Krause, Ana-Maria; Stolte, Matthias; Amitani, Hitoshi; Yagi, Shigeyuki; Fujiwara, Hideki; Würthner, Frank; Chemical communications (Cambridge, England) 56 (2020) 9890–9893; doi:10.1039/d0cc04306k

data_7126967
_publ_section_title
;
 Hydrogen bond-rigidified planar squaraine dye and its electronic and
 organic semiconductor properties.
;
_journal_issue                   68
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              9890
_journal_page_last               9893
_journal_paper_doi               10.1039/d0cc04306k
_journal_volume                  56
_journal_year                    2020
_chemical_formula_moiety         'C29 H22 F2 N4 O'
_chemical_formula_sum            'C29 H22 F2 N4 O'
_chemical_formula_weight         480.52
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
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_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
_audit_update_record
;
2020-06-25 deposited with the CCDC.	2020-07-23 downloaded from the CCDC.
;
_cell_angle_alpha                85.675(9)
_cell_angle_beta                 81.578(8)
_cell_angle_gamma                68.373(6)
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_cell_length_b                   11.3867(19)
_cell_length_c                   11.654(3)
_cell_measurement_reflns_used    3066
_cell_measurement_temperature    293
_cell_measurement_theta_max      30.51
_cell_measurement_theta_min      2.20
_cell_volume                     1225.0(4)
_computing_cell_refinement       CrystalClear
_computing_data_collection       'CrystalClear (Rigaku Inc., 2007)'
_computing_data_reduction        CrystalClear
_computing_molecular_graphics    'CrystalStructure 4.0'
_computing_publication_material  'CrystalStructure 4.0 (Rigaku, 2010)'
_computing_structure_refinement  'CRYSTALS (Carruthers, et al., 1999)'
_computing_structure_solution    SIR97
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_diffrn_measurement_device_type  'Rigaku Mercury70'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
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_diffrn_standards_number         0
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_exptl_crystal_description       needle
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_refine_ls_structure_factor_coef F
_refine_ls_weighting_details
;
    Chebychev polynomial with 3 parameters (Carruthers & Watkin, 1979)
    8.8772    0.8245    5.9415
;
_refine_ls_weighting_scheme      calc
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_reflns_threshold_expression     F>3.0\s(F)
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_cod_depositor_comments
'Adding full bibliography for 7126966--7126967.cif.'
_cod_original_cell_volume        1224.9(4)
_cod_database_code               7126967