A novel three-component one-pot reaction involving alkynes, urea or thiourea, and aldehydes.
Huang, Shenlin; Pan, Yuanjiang; Zhu, Yulin; Wu, Anxin; Organic letters 7 (2005) 3797–3799; doi:10.1021/ol051458e

data_1506674
_publ_section_title
;
 A novel three-component one-pot reaction involving alkynes, urea or
 thiourea, and aldehydes.
;
_journal_issue                   17
_journal_name_full               'Organic letters'
_journal_page_first              3797
_journal_page_last               3799
_journal_paper_doi               10.1021/ol051458e
_journal_volume                  7
_journal_year                    2005
_chemical_formula_moiety         'C20 H18 F4 N2 O3 '
_chemical_formula_sum            'C20 H18 F4 N2 O3'
_chemical_formula_weight         410.37
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 118.072(1)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   26.939(1)
_cell_length_b                   8.9373(3)
_cell_length_c                   18.5928(7)
_cell_measurement_reflns_used    10198
_cell_measurement_temperature    295(1)
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      2.5
_cell_volume                     3949.8(3)
_computing_cell_refinement       PROCESS-AUTO
_computing_data_collection       PROCESS-AUTO
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure 3.6.0'
_computing_structure_refinement  CRYSTALS
_computing_structure_solution    SHELXS97
_diffrn_detector_area_resol_mean 10.00
_diffrn_measured_fraction_theta_full 0.9995
_diffrn_measured_fraction_theta_max 0.9979
_diffrn_measurement_device_type  'Rigaku RAXIS-RAPID'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.059
_diffrn_reflns_limit_h_max       34
_diffrn_reflns_limit_h_min       -34
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            19172
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         27.47
_exptl_absorpt_coefficient_mu    0.118
_exptl_absorpt_correction_T_max  0.979
_exptl_absorpt_correction_T_min  0.929
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
    Higashi, T. (1995). Program for Absorption Correction.
    Rigaku Corporation, Tokyo, Japan.
;
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.380
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1696.00
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.18
_refine_diff_density_max         0.66
_refine_diff_density_min         -0.43
_refine_ls_extinction_coef       111(62)
_refine_ls_extinction_method
'Larson (1970) Crystallographic Computing eq. 22'
_refine_ls_goodness_of_fit_ref   1.011
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_parameters     263
_refine_ls_number_reflns         2197
_refine_ls_R_factor_gt           0.0870
_refine_ls_shift/su_max          0.0040
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[0.0057Fo^2^ + 4.0000\s(Fo^2^) + 0.5000]/(4Fo^2^)'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.2230
_reflns_number_gt                2197
_reflns_number_total             4528
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            ol051458esi20050622_122014.cif
_cod_data_source_block           '_HSL-1____________________'
_cod_original_cell_volume        3949.9(3)
_cod_original_formula_sum        'C20 H18 F4 N2 O3 '
_cod_database_code               1506674