Development of novel synthetic routes to bis(perfluoroalkyl)-substituted anthracene derivatives
Shigeyuki Yamada; Keita Kinoshita; Shota Iwama; Takashi Yamazaki; Toshio Kubota; Tomoko Yajima; RSC Advances 3 (2013) 6803–6806; doi:10.1039/C3RA40974K

data_7216696
_publ_section_title
;
 Development of novel synthetic routes to bis(perfluoroalkyl)-substituted
 anthracene derivatives
;
_journal_issue                   19
_journal_name_full               'RSC Advances'
_journal_page_first              6803
_journal_page_last               6806
_journal_paper_doi               10.1039/C3RA40974K
_journal_volume                  3
_journal_year                    2013
_chemical_formula_moiety         'C24 H12 F6'
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_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
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_cell_angle_beta                 73.950(6)
_cell_angle_gamma                86.894(6)
_cell_formula_units_Z            2
_cell_length_a                   9.624(3)
_cell_length_b                   9.777(3)
_cell_length_c                   10.267(3)
_cell_measurement_reflns_used    5018
_cell_measurement_temperature    293
_cell_measurement_theta_max      27.65
_cell_measurement_theta_min      3.12
_cell_volume                     927.0(5)
_computing_cell_refinement       'CrystalClear-SM Auto 2.0 r1'
_computing_data_collection       'CrystalClear-SM Auto 2.0 r1 (Rigaku, 2009)'
_computing_data_reduction        'CrystalClear-SM Auto 2.0 r1'
_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    'Superflip (Palatinus, et al., 2007)'
_diffrn_ambient_temperature      293
_diffrn_detector_area_resol_mean 6.849
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_device_type  'Rigaku XtaLAB mini'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71075
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_diffrn_reflns_limit_h_max       12
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_diffrn_reflns_limit_k_min       -12
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_diffrn_reflns_theta_full        27.48
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_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.128
_exptl_absorpt_correction_T_max  0.991
_exptl_absorpt_correction_T_min  0.754
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'REQAB (Rigaku, 1998)'
_exptl_crystal_colour            Colorless
_exptl_crystal_density_diffrn    1.484
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Prism
_exptl_crystal_F_000             420.00
_exptl_crystal_size_max          0.700
_exptl_crystal_size_mid          0.170
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_refine_diff_density_max         0.737
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_refine_ls_R_factor_gt           0.0636
_refine_ls_shift/su_max          0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[0.0009Fo^2^ + 1.1800\s(Fo^2^)]/(4Fo^2^)'
_refine_ls_weighting_scheme      calc
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_reflns_number_gt                1642
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_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            c3ra40974k.txt
_cod_data_source_block           User-defined
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