Nanocrystalline and Reusable ZnO Catalyst for the Assembly of Densely Functionalized 4H-Chromenes in Aqueous Medium via One-Pot Three Component Reactions: A Greener "NOSE" Approach
Partha Pratim Ghosh; Asish R. Das; Journal of Organic Chemistry 78 (2013) 6170–6181; doi:10.1021/jo400763z

data_4028351
_publ_section_title
;
 Nanocrystalline and Reusable ZnO Catalyst for the Assembly of Densely
 Functionalized 4H-Chromenes in Aqueous Medium via One-Pot Three Component
 Reactions: A Greener "NOSE" Approach
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              6170
_journal_page_last               6181
_journal_paper_doi               10.1021/jo400763z
_journal_volume                  78
_journal_year                    2013
_chemical_formula_sum            'C22 H16 N2 O6'
_chemical_formula_weight         404.37
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                82.145(4)
_cell_angle_beta                 85.415(4)
_cell_angle_gamma                75.178(4)
_cell_formula_units_Z            2
_cell_length_a                   7.2522(9)
_cell_length_b                   8.0370(10)
_cell_length_c                   16.347(2)
_cell_measurement_temperature    296(2)
_cell_volume                     911.4(2)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.966
_diffrn_measured_fraction_theta_max 0.966
_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  0.0249
_diffrn_reflns_av_sigmaI/netI    0.0283
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            11105
_diffrn_reflns_theta_full        26.46
_diffrn_reflns_theta_max         26.46
_diffrn_reflns_theta_min         1.26
_exptl_absorpt_coefficient_mu    0.109
_exptl_crystal_colour            white
_exptl_crystal_density_diffrn    1.473
_exptl_crystal_description       rectangulaR
_exptl_crystal_F_000             420
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.17
_exptl_crystal_size_min          0.05
_refine_diff_density_max         0.235
_refine_diff_density_min         -0.267
_refine_diff_density_rms         0.053
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.466
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     274
_refine_ls_number_reflns         3627
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.466
_refine_ls_R_factor_all          0.0737
_refine_ls_R_factor_gt           0.0567
_refine_ls_shift/su_max          0.111
_refine_ls_shift/su_mean         0.029
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.1000P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2046
_refine_ls_wR_factor_ref         0.2164
_reflns_number_gt                2720
_reflns_number_total             3627
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            jo400763z_si_002.cif
_cod_data_source_block           ardppg_0m
_cod_database_code               4028351