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_4116107
_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 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_audit_creation_date             'Fri Mar 10 13:23:39 2000'
_audit_creation_method           'by teXsan'
_cell_angle_alpha                90
_cell_angle_beta                 101.064(1)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   11.113(1)
_cell_length_b                   4.1207(6)
_cell_length_c                   19.5511(8)
_cell_measurement_reflns_used    2101
_cell_measurement_temperature    295.2
_cell_measurement_theta_max      27.5
_cell_volume                     878.67(15)
_computing_cell_refinement       D*TREK
_computing_data_collection       D*TREK
_computing_data_reduction        'teXsan Ver. 1.10'
_computing_publication_material  'teXsan Ver. 1.10'
_computing_structure_refinement  SHELXL97
_computing_structure_solution    SIR92
_diffrn_measurement_device_type  'Quantum CCD/Rigaku AFC7'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.000
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       5
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            2101
_diffrn_reflns_theta_max         27.47
_exptl_absorpt_coefficient_mu    0.080
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.271
_exptl_crystal_description       platelet
_exptl_crystal_size_max          0.800
_exptl_crystal_size_mid          0.400
_exptl_crystal_size_min          0.400
_refine_diff_density_max         0.31
_refine_diff_density_min         -0.32
_refine_ls_extinction_coef       0.7030
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.204
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     151
_refine_ls_number_reflns         1677
_refine_ls_R_factor_gt           0.0512
_refine_ls_shift/su_max          -0.0010
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^) + (0.0954P)^2^+0.0911P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1548
_reflns_number_gt                1677
_reflns_number_total             1843
_reflns_threshold_expression     >2.0sigma(I)
_cod_data_source_file            ja000822w_1.cif
_cod_data_source_block           compound_3
_cod_original_cell_volume        878.7(2)
_cod_original_formula_sum        'C24 H16 O2 '
_cod_database_code               4116107