Diastereoselective synthesis of chroman bearing spirobenzofuranone scaffolds via oxa-Michael/1,6-conjugated addition of para-quinone methides with benzofuranone-type olefins
Qin, Hongmei; Xie, Qimei; He, Long; RSC Advances 12 (2022) 16684–16687; doi:10.1039/D2RA03031D

data_7245034
_publ_section_title
;
 Diastereoselective synthesis of chroman bearing spirobenzofuranone
 scaffolds via oxa-Michael/1,6-conjugated addition of para-quinone
 methides with benzofuranone-type olefins
;
_journal_issue                   26
_journal_name_full               'RSC Advances'
_journal_page_first              16684
_journal_page_last               16687
_journal_paper_doi               10.1039/D2RA03031D
_journal_volume                  12
_journal_year                    2022
_chemical_formula_moiety         'C36 H36 O4'
_chemical_formula_sum            'C36 H36 O4'
_chemical_formula_weight         532.65
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2021-12-16 deposited with the CCDC.	2022-05-30 downloaded from the CCDC.
;
_cell_angle_alpha                67.015(3)
_cell_angle_beta                 89.202(3)
_cell_angle_gamma                85.046(3)
_cell_formula_units_Z            2
_cell_length_a                   9.7854(6)
_cell_length_b                   11.7030(7)
_cell_length_c                   13.8373(9)
_cell_measurement_temperature    293(2)
_cell_volume                     1453.03(16)
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.997
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0462
_diffrn_reflns_av_unetI/netI     0.0248
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            38069
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.464
_diffrn_reflns_theta_min         2.604
_exptl_absorpt_coefficient_mu    0.078
_exptl_crystal_density_diffrn    1.217
_exptl_crystal_F_000             568
_refine_diff_density_max         0.145
_refine_diff_density_min         -0.248
_refine_diff_density_rms         0.050
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.070
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     370
_refine_ls_number_reflns         5378
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.070
_refine_ls_R_factor_all          0.0616
_refine_ls_R_factor_gt           0.0443
_refine_ls_shift/su_max          0.049
_refine_ls_shift/su_mean         0.002
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.1000P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1324
_refine_ls_wR_factor_ref         0.1451
_reflns_Friedel_coverage         0.000
_reflns_number_gt                4100
_reflns_number_total             5378
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d2ra03031d2.cif
_cod_data_source_block           mo_20171027_0m-auto
_cod_database_code               7245034
_shelx_shelxl_version_number     2014/7
_shelx_res_checksum              85342