A Diversity-Oriented Strategy for the Construction of Tetrasubstituted Pyrroles via Coupled Domino Processes
David Tejedor; David González-Cruz; Fernando García-Tellado; José Juan Marrero-Tellado; Matías López Rodríguez; Journal of the American Chemical Society 126 (2004) 8390–8391; doi:10.1021/ja047396p

data_4112738
_publ_section_title
;
 A Diversity-Oriented Strategy for the Construction of Tetrasubstituted
 Pyrroles via Coupled Domino Processes
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              8390
_journal_page_last               8391
_journal_paper_doi               10.1021/ja047396p
_journal_volume                  126
_journal_year                    2004
_chemical_formula_sum            'C19 H23 N O4'
_chemical_formula_weight         329.38
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 114.56(1)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   9.854(1)
_cell_length_b                   13.947(2)
_cell_length_c                   13.890(2)
_cell_measurement_temperature    170(2)
_cell_volume                     1736.2(4)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      170(2)
_diffrn_measured_fraction_theta_full 0.957
_diffrn_measured_fraction_theta_max 0.957
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0000
_diffrn_reflns_av_sigmaI/netI    0.0268
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       0
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            4262
_diffrn_reflns_theta_full        28.64
_diffrn_reflns_theta_max         28.64
_diffrn_reflns_theta_min         2.92
_exptl_absorpt_coefficient_mu    0.088
_exptl_absorpt_correction_T_max  0.9783
_exptl_absorpt_correction_T_min  0.9740
_exptl_crystal_colour            colurless
_exptl_crystal_density_diffrn    1.260
_exptl_crystal_description       'irregular shaped'
_exptl_crystal_F_000             704
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.25
_refine_diff_density_max         0.495
_refine_diff_density_min         -0.344
_refine_diff_density_rms         0.042
_refine_ls_extinction_coef       0.017(13)
_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   1.014
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     275
_refine_ls_number_reflns         4262
_refine_ls_number_restraints     19
_refine_ls_restrained_S_all      1.076
_refine_ls_R_factor_all          0.0821
_refine_ls_R_factor_gt           0.0751
_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^)+(0.1009P)^2^+0.9846P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1943
_refine_ls_wR_factor_ref         0.2015
_reflns_number_gt                3844
_reflns_number_total             4262
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ja047396psi20040504_115246.cif
_cod_data_source_block           tellp21c
_cod_database_code               4112738