Brønsted acid catalyzed [4 + 2] cycloaddition for the synthesis of bisbenzannulated spiroketals with antifungal activities.
Hu, Teng; Zhao, Yuxuan; Luo, Xiaoyan; Li, Zhong; Yang, Wu-Lin; Organic & biomolecular chemistry 22 (2024) 4656–4661; doi:10.1039/d4ob00584h

data_7160029
_publ_section_title
;
 Br&#xf8;nsted acid catalyzed [4 + 2] cycloaddition for the synthesis of
 bisbenzannulated spiroketals with antifungal activities.
;
_journal_issue                   23
_journal_name_full               'Organic &amp; biomolecular chemistry'
_journal_page_first              4656
_journal_page_last               4661
_journal_paper_doi               10.1039/d4ob00584h
_journal_volume                  22
_journal_year                    2024
_chemical_formula_sum            'C23 H18 Br2 O2'
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_space_group_crystal_system      monoclinic
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_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2013
_audit_update_record
;
2024-03-15 deposited with the CCDC.	2024-05-21 downloaded from the CCDC.
;
_cell_angle_alpha                90
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_cell_length_c                   21.2231(13)
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_cell_measurement_temperature    213(2)
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_cell_measurement_theta_min      5.334
_cell_volume                     1961.07(19)
_computing_cell_refinement       'Bruker SAINT'
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_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
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_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_type           MoK\a
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_diffrn_reflns_Laue_measured_fraction_full 0.999
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_diffrn_reflns_point_group_measured_fraction_full 0.999
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_diffrn_reflns_theta_max         25.999
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_exptl_absorpt_correction_T_min  0.5165
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
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_exptl_crystal_description       prismatic
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_refine_ls_matrix_type           full
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_refine_ls_number_reflns         3855
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_refine_ls_restrained_S_all      1.021
_refine_ls_R_factor_all          0.0587
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0266P)^2^+1.2351P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0681
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_reflns_number_gt                2850
_reflns_number_total             3855
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d4ob00584h2.cif
_cod_data_source_block           mo_dd23006_0m
_cod_original_sg_symbol_H-M      'P 21/c'
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_shelxl_version_number           2013-4
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