Chromeno[2,3-c]pyrroles by one-pot multicomponent domino addition–amination reaction
Terzidis, Michael A.; Tsiaras, Vassilios G.; Drosos, Nicolaos M.; Kasapidou, Paraskevi M.; Stephanidou-Stephanatou, Julia; Tsoleridis, Constantinos A.; Buth, Gernot; Kostakis, George E.; Tetrahedron Letters 55 (2014) 5601–5604; doi:10.1016/j.tetlet.2014.08.048

data_1517791
_publ_section_title
;
 Chromeno[2,3-c]pyrroles by one-pot multicomponent domino
 addition--amination reaction
;
_journal_issue                   41
_journal_name_full               'Tetrahedron Letters'
_journal_page_first              5601
_journal_page_last               5604
_journal_paper_doi               10.1016/j.tetlet.2014.08.048
_journal_volume                  55
_journal_year                    2014
_chemical_formula_sum            'C23 H27 N3 O7'
_chemical_formula_weight         457.48
_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                 99.689(5)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   5.4515(4)
_cell_length_b                   29.250(2)
_cell_length_c                   14.0037(9)
_cell_measurement_temperature    150(2)
_cell_volume                     2201.1(3)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.963
_diffrn_measured_fraction_theta_max 0.965
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_wavelength     0.80000
_diffrn_reflns_av_R_equivalents  0.2355
_diffrn_reflns_av_sigmaI/netI    0.1523
_diffrn_reflns_limit_h_max       5
_diffrn_reflns_limit_h_min       -5
_diffrn_reflns_limit_k_max       31
_diffrn_reflns_limit_k_min       -29
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            7910
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.59
_diffrn_reflns_theta_min         1.57
_exptl_absorpt_coefficient_mu    0.103
_exptl_absorpt_correction_T_max  0.9969
_exptl_absorpt_correction_T_min  0.9918
_exptl_crystal_density_diffrn    1.380
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             968
_exptl_crystal_size_max          0.08
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.03
_refine_diff_density_max         0.568
_refine_diff_density_min         -0.478
_refine_diff_density_rms         0.114
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.497
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     298
_refine_ls_number_reflns         2788
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.497
_refine_ls_R_factor_all          0.1368
_refine_ls_R_factor_gt           0.1283
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.2000P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.3520
_refine_ls_wR_factor_ref         0.3598
_reflns_number_gt                2438
_reflns_number_total             2788
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            COMP-5a.cif
_cod_data_source_block           mt2
_cod_database_code               1517791