A Simple Hybrid Cyclyne Consisting of 1,3-Diethynylbenzene and Ether Units: Synthesis and Novel Ag±Induced Cyclization Leading to the Perylene Skeleton Formation
Yoshihiro Yamaguchi; Shigeya Kobayashi; Tateaki Wakamiya; Yoshio Matsubara; Zen-ichi Yoshida; Journal of the American Chemical Society 122 (2000) 7404–7405; doi:10.1021/ja000822w

data_4116108
_publ_section_title
;
 A Simple Hybrid Cyclyne Consisting of 1,3-Diethynylbenzene and Ether
 Units: Synthesis and Novel Ag+-Induced Cyclization Leading to the
 Perylene Skeleton Formation
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              7404
_journal_page_last               7405
_journal_paper_doi               10.1021/ja000822w
_journal_volume                  122
_journal_year                    2000
_chemical_formula_moiety         'C24 H16 O2 '
_chemical_formula_sum            'C24 H16 O2'
_chemical_formula_weight         336.39
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_audit_creation_date             'Fri Mar 10 13:22:03 2000'
_audit_creation_method           'by teXsan'
_cell_angle_alpha                90
_cell_angle_beta                 102.601(8)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   9.344(2)
_cell_length_b                   6.3811(9)
_cell_length_c                   13.484(1)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    293.2
_cell_measurement_theta_max      13.2
_cell_measurement_theta_min      12.0
_cell_volume                     784.6(2)
_computing_cell_refinement       'MSC/AFC Diffractometer Control'
_computing_data_collection       'MSC/AFC Diffractometer Control'
_computing_data_reduction        'teXsan Ver. 1.10'
_computing_publication_material  'teXsan Ver. 1.10'
_computing_structure_refinement  'teXsan Ver. 1.10'
_computing_structure_solution    SHELXS97
_diffrn_measured_fraction_theta_full 1.0000
_diffrn_measured_fraction_theta_max 1.0000
_diffrn_measurement_device_type  'Rigaku AFC7R'
_diffrn_measurement_method       \w-2\q
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.040
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            2089
_diffrn_reflns_theta_full        27.49
_diffrn_reflns_theta_max         27.49
_diffrn_standards_decay_%        0.16
_diffrn_standards_interval_count 150
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    0.089
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.424
_exptl_crystal_description       prismatic
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.200
_refine_diff_density_max         0.49
_refine_diff_density_min         -0.43
_refine_ls_extinction_coef       0.011(4)
_refine_ls_extinction_method     'Zachariasen(1967) type 2 gaussian isotropic'
_refine_ls_goodness_of_fit_ref   1.202
_refine_ls_hydrogen_treatment    refxyz
_refine_ls_number_parameters     143
_refine_ls_number_reflns         1810
_refine_ls_R_factor_gt           0.0501
_refine_ls_shift/su_max          0.0033
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^) + (0.03700(Max(Fo^2^,0) + 2Fc^2^)/3)^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1458
_reflns_number_gt                911
_reflns_number_total             1810
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            ja000822w_2.cif
_cod_data_source_block           compound_6
_cod_original_cell_volume        784.7(2)
_cod_original_formula_sum        'C24 H16 O2 '
_cod_database_code               4116108