Beyond conventional routes, an unprecedented metal-free chemoselective synthesis of anthranilate esters via a multicomponent reaction (MCR) strategy.
Sarkar, Satavisha; Khan, Abu T.; Chemical communications (Cambridge, England) 51 (2015) 12673–12676; doi:10.1039/c5cc03369a

data_7117611
_publ_section_title
;
 Beyond conventional routes, an unprecedented metal-free chemoselective
 synthesis of anthranilate esters via a multicomponent reaction (MCR)
 strategy.
;
_journal_issue                   63
_journal_name_full               'Chemical communications (Cambridge, England)'
_journal_page_first              12673
_journal_page_last               12676
_journal_paper_doi               10.1039/c5cc03369a
_journal_volume                  51
_journal_year                    2015
_chemical_formula_moiety         'C12 H9 F6 N O4'
_chemical_formula_sum            'C12 H9 F6 N O4'
_chemical_formula_weight         345.20
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_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
_audit_update_record
;
2015-03-16 deposited with the CCDC.
2015-06-10 downloaded from the CCDC.
;
_cell_angle_alpha                90.00
_cell_angle_beta                 100.660(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
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_cell_measurement_temperature    293(2)
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_computing_cell_refinement       'Bruker SMART'
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_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
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_diffrn_reflns_limit_k_min       -15
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_diffrn_reflns_limit_l_min       -9
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_exptl_crystal_colour            colorless
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_exptl_crystal_description       block
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_refine_diff_density_min         -0.285
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_refine_ls_extinction_method     none
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_refine_ls_number_reflns         2472
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_refine_ls_R_factor_all          0.0986
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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^)+(0.0916P)^2^+0.9468P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c5cc03369a2.cif
_cod_data_source_block           satavisha
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_cod_database_code               7117611