One-pot homolytic aromatic substitutions/HWE olefinations under microwave conditions for the formation of a small oxindole library.
Teichert, Antje; Jantos, Katja; Harms, Klaus; Studer, Armido; Organic letters 6 (2004) 3477–3480; doi:10.1021/ol048759t

data_1507030
_publ_section_title
;
 One-pot homolytic aromatic substitutions/HWE olefinations under microwave
 conditions for the formation of a small oxindole library.
;
_journal_issue                   20
_journal_name_full               'Organic letters'
_journal_page_first              3477
_journal_page_last               3480
_journal_paper_doi               10.1021/ol048759t
_journal_volume                  6
_journal_year                    2004
_chemical_formula_moiety         'C17 H17 N1 O2'
_chemical_formula_sum            'C17 H17 N O2'
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_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                95.733(17)
_cell_angle_beta                 111.551(18)
_cell_angle_gamma                97.026(19)
_cell_formula_units_Z            2
_cell_length_a                   8.3974(15)
_cell_length_b                   9.0952(13)
_cell_length_c                   10.0046(15)
_cell_measurement_reflns_used    4893
_cell_measurement_temperature    193(2)
_cell_measurement_theta_max      26
_cell_measurement_theta_min      2.2
_cell_volume                     696.6(2)
_computing_molecular_graphics    'Ortep-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'WinGX publication routines (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      193(2)
_diffrn_measured_fraction_theta_full 0.939
_diffrn_measured_fraction_theta_max 0.930
_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  0.0579
_diffrn_reflns_av_sigmaI/netI    0.0696
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            6865
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.90
_diffrn_reflns_theta_min         2.22
_exptl_absorpt_coefficient_mu    0.083
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.274
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       'broken piece'
_exptl_crystal_F_000             284
_exptl_crystal_size_max          0.55
_exptl_crystal_size_mid          0.15
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_refine_diff_density_max         0.144
_refine_diff_density_min         -0.164
_refine_diff_density_rms         0.034
_refine_ls_extinction_method     none
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_refine_ls_matrix_type           full
_refine_ls_number_parameters     249
_refine_ls_number_reflns         2527
_refine_ls_number_restraints     0
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_refine_ls_R_factor_all          0.0760
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_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^)+(0.0508P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0831
_refine_ls_wR_factor_ref         0.0930
_reflns_number_gt                1466
_reflns_number_total             2527
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ol048759tsi20040630_105220.cif
_cod_data_source_block           teich03
_cod_original_cell_volume        696.62(19)
_cod_database_code               1507030