Mercuric triflate-catalyzed tandem cyclization leading to polycarbocycles.
Imagawa, Hiroshi; Iyenaga, Tomoaki; Nishizawa, Mugio; Organic letters 7 (2005) 451–453; doi:10.1021/ol047472t

data_1517084
_publ_section_title
;
 Mercuric triflate-catalyzed tandem cyclization leading to
 polycarbocycles.
;
_journal_issue                   3
_journal_name_full               'Organic letters'
_journal_page_first              451
_journal_page_last               453
_journal_paper_doi               10.1021/ol047472t
_journal_volume                  7
_journal_year                    2005
_chemical_compound_source        synthetic
_chemical_formula_moiety         'C17 H22 O3 '
_chemical_formula_sum            'C17 H22 O3'
_chemical_formula_weight         274.360
_chemical_name_systematic
;
 (6aS,10aS)-1,3-dimethoxy-7,10a-dimethyl-
6a,9,10,10a-tetrahydro-6H-benzo[c]chromene
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_audit_creation_method           maXus
_cell_angle_alpha                107.314(3)
_cell_angle_beta                 99.739(3)
_cell_angle_gamma                102.947(3)
_cell_formula_units_Z            2
_cell_length_a                   7.2860(4)
_cell_length_b                   10.5060(7)
_cell_length_c                   10.5850(9)
_cell_measurement_temperature    298
_cell_volume                     729.25(9)
_computing_cell_refinement       Scalepack(HKL)
_computing_data_collection       'DIP Image plate'
_computing_data_reduction        'maXus (Mackay et al., 1999)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_diffrn_measured_fraction_theta_full 0.935
_diffrn_measured_fraction_theta_max 0.935
_diffrn_measurement_device       'DIP Image plate'
_diffrn_measurement_method       IP
_diffrn_orient_matrix_type       X=UH
_diffrn_orient_matrix_UB_11      -0.05472
_diffrn_orient_matrix_UB_12      0.12554
_diffrn_orient_matrix_UB_13      0.04861
_diffrn_orient_matrix_UB_21      -0.09609
_diffrn_orient_matrix_UB_22      -0.02010
_diffrn_orient_matrix_UB_23      0.03408
_diffrn_orient_matrix_UB_31      0.00009
_diffrn_orient_matrix_UB_32      -0.00984
_diffrn_orient_matrix_UB_33      0.10139
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           ' MoK\a'
_diffrn_radiation_wavelength_id  all
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            2591
_diffrn_reflns_theta_full        25.74
_diffrn_reflns_theta_max         25.74
_diffrn_reflns_theta_min         2.08
_exptl_absorpt_coefficient_mu    0.084
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            Colourless
_exptl_crystal_density_diffrn    1.249
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Plate
_exptl_crystal_F_000             296.0
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.287
_refine_diff_density_min         -0.342
_refine_diff_density_rms         0.119
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.092
_refine_ls_hydrogen_treatment    refxyz
_refine_ls_matrix_type           full
_refine_ls_number_parameters     181
_refine_ls_number_reflns         2591
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.092
_refine_ls_R_factor_all          0.0637
_refine_ls_R_factor_gt           0.0516
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.1033P)^2^+0.1032P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1490
_refine_ls_wR_factor_ref         0.1702
_reflns_number_gt                2235
_reflns_number_total             2591
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ol047472tsi20041209_070800.cif
_cod_data_source_block           global
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to
/usr/data/users/saulius/automatic-downloads/retrospective/ACS/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 2281 2013-09-26 08:29:07Z andrius 
;
_cod_original_sg_symbol_H-M      'P -1          '
_cod_original_formula_sum        'C17 H22 O3 '
_cod_database_code               1517084