One-pot synthesis of asymmetric annulated bis(pyrrole)s.
Smithen, Deborah A.; Cameron, T. Stanley; Thompson, Alison; Organic letters 13 (2011) 5846–5849; doi:10.1021/ol202457n

data_1502552
_publ_section_title
;
 One-pot synthesis of asymmetric annulated bis(pyrrole)s.
;
_journal_issue                   21
_journal_name_full               'Organic letters'
_journal_page_first              5846
_journal_page_last               5849
_journal_paper_doi               10.1021/ol202457n
_journal_volume                  13
_journal_year                    2011
_chemical_formula_moiety         'C24 H34 N2 O4 '
_chemical_formula_sum            'C24 H34 N2 O4'
_chemical_formula_weight         414.54
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90.0000
_cell_angle_beta                 94.137(4)
_cell_angle_gamma                90.0000
_cell_formula_units_Z            4
_cell_length_a                   12.705(10)
_cell_length_b                   9.521(6)
_cell_length_c                   19.280(4)
_cell_measurement_reflns_used    89
_cell_measurement_temperature    213.1
_cell_measurement_theta_max      35.6
_cell_measurement_theta_min      2.0
_cell_volume                     2326(2)
_computing_cell_refinement       PROCESS
_computing_data_collection       PROCESS
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure 3.8'
_computing_structure_refinement  CRYSTALS
_computing_structure_solution    SHELXS97
_diffrn_ambient_temperature      213.1
_diffrn_detector_area_resol_mean 10.00
_diffrn_measured_fraction_theta_full 0.964
_diffrn_measured_fraction_theta_max 0.771
_diffrn_measurement_device_type  'Rigaku RAXIS-UNKNOWN'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71070
_diffrn_reflns_av_R_equivalents  0.053
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_number            16495
_diffrn_reflns_theta_full        26.75
_diffrn_reflns_theta_max         35.65
_exptl_absorpt_coefficient_mu    0.080
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            pale-yellow
_exptl_crystal_density_diffrn    1.184
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             896.00
_exptl_crystal_size_max          0.19
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.03
_refine_diff_density_max         0.37
_refine_diff_density_min         -0.21
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.127
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     231
_refine_ls_number_reflns         2200
_refine_ls_R_factor_gt           0.0596
_refine_ls_shift/su_max          0.0039
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details
;
    Chebychev polynomial with 3 parameters (Carruthers & Watkin, 1979)
    10.8588    -3.3500    9.4057
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0674
_reflns_number_gt                2200
_reflns_number_total             4762
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            ol202457n_si_001.cif
_cod_data_source_block           '__Deb1'
_cod_original_formula_sum        'C24 H34 N2 O4 '
_cod_database_code               1502552