An efficient one-pot three-component reaction for the synthesis of novel functionalized pyrano[3,2-c]coumarins catalyzed by Na2CO3 in aqueous medium
Borah, Pallabi; Naidu, P. Seetham; Majumder, Swarup; Bhuyan, Pulak J.; RSC Advances 3 (2013) 20450–; doi:10.1039/c3ra43484b

data_7239208
_publ_section_title
;
 An efficient one-pot three-component reaction for the synthesis of novel
 functionalized pyrano[3,2-c]coumarins catalyzed by Na2CO3 in aqueous
 medium
;
_journal_issue                   43
_journal_name_full               'RSC Advances'
_journal_page_first              20450
_journal_paper_doi               10.1039/c3ra43484b
_journal_volume                  3
_journal_year                    2013
_chemical_formula_moiety         'C20 H18 N2 O7'
_chemical_formula_sum            'C20 H18 N2 O7'
_chemical_formula_weight         398.37
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90.0000
_cell_angle_beta                 107.195(5)
_cell_angle_gamma                90.0000
_cell_formula_units_Z            8
_cell_length_a                   29.391(10)
_cell_length_b                   8.506(2)
_cell_length_c                   15.998(5)
_cell_measurement_reflns_used    3008
_cell_measurement_temperature    293.1
_cell_measurement_theta_max      29.6
_cell_measurement_theta_min      1.7
_cell_volume                     3821(2)
_computing_cell_refinement       CrystalClear
_computing_data_collection       CrystalClear
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure 3.8'
_computing_structure_refinement  CRYSTALS
_computing_structure_solution    SIR92
_diffrn_detector_area_resol_mean 14.63
_diffrn_measured_fraction_theta_full 0.874
_diffrn_measured_fraction_theta_max 0.874
_diffrn_measurement_device_type  'Rigaku Saturn'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71075
_diffrn_reflns_av_R_equivalents  0.026
_diffrn_reflns_limit_h_max       29
_diffrn_reflns_limit_h_min       -40
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -6
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            8591
_diffrn_reflns_theta_full        29.63
_diffrn_reflns_theta_max         29.63
_exptl_absorpt_coefficient_mu    0.053
_exptl_absorpt_correction_T_max  0.989
_exptl_absorpt_correction_T_min  0.878
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Jacobson, R. (1998) Private communication'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    0.692
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             832.00
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.92
_refine_diff_density_min         -0.76
_refine_ls_extinction_coef       159(7)
_refine_ls_extinction_method
'Larson (1970) Crystallographic Computing eq. 22'
_refine_ls_goodness_of_fit_ref   6.408
_refine_ls_hydrogen_treatment    mixed
_refine_ls_number_parameters     299
_refine_ls_number_reflns         8017
_refine_ls_R_factor_gt           0.0653
_refine_ls_shift/su_max          0.5000
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1.0'
_refine_ls_weighting_scheme      unit
_refine_ls_wR_factor_ref         0.0569
_reflns_number_gt                7977
_reflns_number_total             4694
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            c3ra43484b.txt
_cod_data_source_block           '__DrPJBhuyanPallabiBoraPB-1'
_cod_depositor_comments
;

2025-04-01
Z value fixed to be consistent with given formula
                 miguel
;
_cod_original_formula_units_Z            4
_cod_original_cell_volume        3820.8(20)
_cod_original_formula_sum        'C20 H18 N2 O7 '
_cod_database_code               7239208