Au-Catalyzed Intermolecular [2+2] Cycloadditions between Chloroalkynes and Unactivated Alkenes.
Bai, Yu-Bin; Luo, Zaigang; Wang, Yuguang; Gao, Jin-Ming; Zhang, Liming; Journal of the American Chemical Society 140 (2018) 5860–5865; doi:10.1021/jacs.8b01813

data_4132134
_publ_section_title
;
 Au-Catalyzed Intermolecular [2+2] Cycloadditions between Chloroalkynes
 and Unactivated Alkenes.
;
_journal_issue                   17
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              5860
_journal_page_last               5865
_journal_paper_doi               10.1021/jacs.8b01813
_journal_volume                  140
_journal_year                    2018
_chemical_formula_sum            'C22 H22'
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_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
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_cell_angle_alpha                90
_cell_angle_beta                 90.339(8)
_cell_angle_gamma                90
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_cell_length_b                   8.6038(12)
_cell_length_c                   35.456(6)
_cell_measurement_reflns_used    157
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      27.9
_cell_measurement_theta_min      2.45
_cell_volume                     1578.5(4)
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.990
_diffrn_measured_fraction_theta_max 0.990
_diffrn_measurement_device_type  'Bruker Kappa Apex II'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0382
_diffrn_reflns_av_unetI/netI     0.0597
_diffrn_reflns_Laue_measured_fraction_full 0.990
_diffrn_reflns_Laue_measured_fraction_max 0.990
_diffrn_reflns_limit_h_max       5
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_diffrn_reflns_limit_l_max       27
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_diffrn_reflns_point_group_measured_fraction_full 0.990
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_diffrn_reflns_theta_full        24.875
_diffrn_reflns_theta_max         24.875
_diffrn_reflns_theta_min         1.149
_exptl_absorpt_coefficient_mu    0.068
_exptl_absorpt_correction_T_max  0.7451
_exptl_absorpt_correction_T_min  0.6834
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.205
_exptl_crystal_description       block
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_exptl_crystal_size_min          0.100
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_refine_diff_density_min         -0.222
_refine_diff_density_rms         0.048
_refine_ls_extinction_method     none
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_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0369P)^2^+0.6094P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_number_gt                1932
_reflns_number_total             2699
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            ja8b01813_si_002.cif
_cod_data_source_block           z06062017
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               4132134
_shelx_shelxl_version_number     2014/7
_shelx_estimated_absorpt_t_min   0.987
_shelx_estimated_absorpt_t_max   0.993
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_shelx_hkl_checksum              19439