Synthesis of Fullerene-Fluorene Dyads through the Platinum-Catalyzed Reactions of [60]Fullerene with 9-Ethynyl-9<i>H</i>-fluoren-9-yl Carboxylates.
Yamada, Michio; Takizawa, Mayu; Nukatani, Yoko; Suzuki, Mitsuaki; Maeda, Yutaka; The Journal of organic chemistry 84 (2019) 9025–9033; doi:10.1021/acs.joc.9b00932

data_4034164
_publ_section_title
;
 Synthesis of Fullerene-Fluorene Dyads through the Platinum-Catalyzed
 Reactions of [60]Fullerene with 9-Ethynyl-9<i>H</i>-fluoren-9-yl
 Carboxylates.
;
_journal_issue                   14
_journal_name_full               'The Journal of organic chemistry'
_journal_page_first              9025
_journal_page_last               9033
_journal_paper_doi               10.1021/acs.joc.9b00932
_journal_volume                  84
_journal_year                    2019
_chemical_formula_sum            'C81 H20 O2'
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_space_group_crystal_system      orthorhombic
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_space_group_name_Hall           '-P 2ac 2ab'
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_cell_angle_gamma                90
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_cell_length_b                   17.2114(5)
_cell_length_c                   25.7129(8)
_cell_measurement_reflns_used    9934
_cell_measurement_temperature    90(2)
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_cell_measurement_theta_min      2.24
_cell_volume                     8583.2(5)
_computing_cell_refinement       'Bruker SAINT'
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_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_diffrn_ambient_temperature      90(2)
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_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Bruker D8 goniometer'
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_type           MoK\a
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_diffrn_reflns_Laue_measured_fraction_full 0.999
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_diffrn_reflns_limit_h_max       24
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_diffrn_reflns_limit_l_min       -25
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_diffrn_reflns_theta_max         27.101
_diffrn_reflns_theta_min         2.239
_diffrn_source                   'microfocus X-ray tube'
_exptl_absorpt_coefficient_mu    0.094
_exptl_absorpt_correction_T_max  0.7455
_exptl_absorpt_correction_T_min  0.6722
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS-2016/2
_exptl_crystal_colour            black
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_exptl_crystal_description       plate
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_refine_ls_extinction_method     none
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_refine_ls_matrix_type           full
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_refine_ls_number_reflns         9438
_refine_ls_number_restraints     90
_refine_ls_restrained_S_all      1.136
_refine_ls_R_factor_all          0.1010
_refine_ls_R_factor_gt           0.0597
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0699P)^2^+13.1892P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1391
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_reflns_number_gt                6489
_reflns_number_total             9438
_reflns_threshold_expression     'I > 2\s(I)'
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_cod_data_source_block           Z-3b
_cod_database_code               4034164
_shelx_shelxl_version_number     2016/6
_shelx_estimated_absorpt_t_min   0.974
_shelx_estimated_absorpt_t_max   0.994
_shelx_res_checksum              48389
_shelx_hkl_checksum              85335