Switchable multipath cascade cyclization to synthesize bicyclic lactams and succinimides <i>via</i> chemodivergent reaction.
Song, Yimei; Wu, Chaofei; Zhang, Jinhai; Zhang, Wenhai; Qin, Xin; Yang, Yixiao; Kang, Guowei; Jiang, Jun; Liu, Hongxin; Chemical communications (Cambridge, England) 59 (2023) 3313–3316; doi:10.1039/d2cc06841a

data_7131315
_publ_section_title
;
 Switchable multipath cascade cyclization to synthesize bicyclic lactams
 and succinimides <i>via</i> chemodivergent reaction.
;
_journal_issue                   22
_journal_name_full               'Chemical communications (Cambridge, England)'
_journal_page_first              3313
_journal_page_last               3316
_journal_paper_doi               10.1039/d2cc06841a
_journal_volume                  59
_journal_year                    2023
_chemical_formula_sum            'C25 H34 N2 O5'
_chemical_formula_weight         442.54
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2022-11-27 deposited with the CCDC.	2023-02-20 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 110.157(7)
_cell_angle_gamma                90
_cell_formula_units_Z            4
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_cell_length_b                   12.559(6)
_cell_length_c                   14.699(7)
_cell_measurement_reflns_used    5693
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      27.215
_cell_measurement_theta_min      2.192
_cell_volume                     2423.7(19)
_computing_cell_refinement       'SAINT (Bruker, 2014)'
_computing_data_collection       'Bruker APEX2 (Bruker, 2014)'
_computing_data_reduction        'SAINT (Bruker, 2014)'
_computing_molecular_graphics
;
SHELXTL (Sheldrick, 2018) and DIAMOND (Brandenburg, 2015)
;
_computing_publication_material
;
SHELXTL (Sheldrick, 2018) and and PLATON (Spek, 2009)
;
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXL-2018/3 (Sheldrick, 2018)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.987
_diffrn_measurement_device_type  'Bruker APEX II CCD area detector'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_type           MoK\a
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_diffrn_reflns_av_unetI/netI     0.0517
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.987
_diffrn_reflns_limit_h_max       15
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_diffrn_reflns_limit_k_min       -13
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_diffrn_reflns_limit_l_min       -18
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_diffrn_reflns_theta_max         27.458
_diffrn_reflns_theta_min         1.734
_diffrn_source                   'fine-focus sealed tube'
_exptl_absorpt_coefficient_mu    0.084
_exptl_absorpt_correction_T_max  0.987
_exptl_absorpt_correction_T_min  0.984
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.213
_exptl_crystal_description       block
_exptl_crystal_F_000             952
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_exptl_crystal_size_min          0.150
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_refine_diff_density_min         -0.546
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_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.045
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     306
_refine_ls_number_reflns         5477
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.045
_refine_ls_R_factor_all          0.0938
_refine_ls_R_factor_gt           0.0724
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.1736P)^2^+0.0876P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2167
_refine_ls_wR_factor_ref         0.2478
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3889
_reflns_number_total             5477
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d2cc06841a2.cif
_cod_data_source_block           mo_20221125B_0m
_cod_depositor_comments
'Adding full bibliography for 7131313--7131315.cif.'
_cod_original_cell_volume        2423.6(19)
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               7131315
_shelx_shelxl_version_number     2018/3
_shelx_estimated_absorpt_t_min   0.983
_shelx_estimated_absorpt_t_max   0.987
_shelx_res_checksum              48007
_shelx_hkl_checksum              15142