Facile access to pyrazolines via domino reaction of the Huisgen zwitterions with aziridines.
Cui, Sun-Liang; Wang, Jing; Wang, Yan-Guang; Organic letters 10 (2008) 13–16; doi:10.1021/ol7022888

data_1504470
_publ_section_title
;
 Facile access to pyrazolines via domino reaction of the Huisgen
 zwitterions with aziridines.
;
_journal_issue                   1
_journal_name_full               'Organic letters'
_journal_page_first              13
_journal_page_last               16
_journal_paper_doi               10.1021/ol7022888
_journal_volume                  10
_journal_year                    2008
_chemical_formula_moiety         'C25 H24 Cl N3 O4 '
_chemical_formula_sum            'C25 H24 Cl N3 O4'
_chemical_formula_weight         465.94
_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'
_cell_angle_alpha                90.0000
_cell_angle_beta                 114.9040(11)
_cell_angle_gamma                90.0000
_cell_formula_units_Z            4
_cell_length_a                   13.3036(7)
_cell_length_b                   16.2479(8)
_cell_length_c                   12.1618(6)
_cell_measurement_reflns_used    18633
_cell_measurement_temperature    296(1)
_cell_measurement_theta_max      27.4
_cell_measurement_theta_min      3.0
_cell_volume                     2384.4(2)
_computing_cell_refinement       PROCESS-AUTO
_computing_data_collection       PROCESS-AUTO
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure 3.7.0'
_computing_structure_refinement  CRYSTALS
_computing_structure_solution    SIR97
_diffrn_detector_area_resol_mean 10.00
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Rigaku RAXIS-RAPID'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71075
_diffrn_reflns_av_R_equivalents  0.042
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            37841
_diffrn_reflns_theta_full        27.46
_diffrn_reflns_theta_max         27.46
_exptl_absorpt_coefficient_mu    0.196
_exptl_absorpt_correction_T_max  0.967
_exptl_absorpt_correction_T_min  0.917
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
    Higashi, T. (1995). Program for Absorption Correction.
    Rigaku Corporation, Tokyo, Japan.
;
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.298
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             976.00
_exptl_crystal_size_max          0.39
_exptl_crystal_size_mid          0.21
_exptl_crystal_size_min          0.17
_refine_diff_density_max         0.74
_refine_diff_density_min         -0.59
_refine_ls_extinction_coef       453(57)
_refine_ls_extinction_method
'Larson (1970) Crystallographic Computing eq. 22'
_refine_ls_goodness_of_fit_ref   1.002
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_parameters     308
_refine_ls_number_reflns         5437
_refine_ls_R_factor_gt           0.0585
_refine_ls_shift/su_max          0.0015
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[0.0011Fo^2^ + 1.0000\s(Fo^2^)]/(4Fo^2^)'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1680
_reflns_number_gt                1876
_reflns_number_total             5437
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            ol7022888-file004.cif
_cod_data_source_block           '_csl-070625'
_cod_original_formula_sum        'C25 H24 Cl N3 O4 '
_cod_database_code               1504470