One-pot synthesis of sequence-controlled macromonomers <i>via</i> living anionic addition reaction and subsequent acyclic diene metathesis polymerization.
Nishijima, Tomohiko; Takahata, Kazuki; Goseki, Raita; Homma, Chihiro; Kuwata, Shigeki; Ishizone, Takashi; Chemical science 16 (2025) 21791–21796; doi:10.1039/d5sc05910k

data_1576101
_publ_section_title
;
 One-pot synthesis of sequence-controlled macromonomers <i>via</i> living
 anionic addition reaction and subsequent acyclic diene metathesis
 polymerization.
;
_journal_issue                   46
_journal_name_full               'Chemical science'
_journal_page_first              21791
_journal_page_last               21796
_journal_paper_doi               10.1039/d5sc05910k
_journal_volume                  16
_journal_year                    2025
_chemical_formula_moiety         'C90 H122 O4 Si4, C H Cl3'
_chemical_formula_sum            'C91 H123 Cl3 O4 Si4'
_chemical_formula_weight         1499.67
_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   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_update_record
;
2025-04-27 deposited with the CCDC.	2025-10-21 downloaded from the CCDC.
;
_cell_angle_alpha                78.515(5)
_cell_angle_beta                 89.878(6)
_cell_angle_gamma                85.166(5)
_cell_formula_units_Z            2
_cell_length_a                   14.995(3)
_cell_length_b                   15.093(3)
_cell_length_c                   19.626(3)
_cell_measurement_reflns_used    11804
_cell_measurement_temperature    93
_cell_measurement_theta_max      27.50
_cell_measurement_theta_min      3.10
_cell_volume                     4336.8(14)
_computing_cell_refinement       'CrystalClear-SM Expert 2.1 b46'
_computing_data_collection       'CrystalClear-SM Expert 2.1 b46 (Rigaku, 2016)'
_computing_data_reduction        'CrystalClear-SM Expert 2.1 b46'
_computing_molecular_graphics    'CrystalStructure 4.3'
_computing_publication_material  'CrystalStructure 4.3 (Rigaku, 2018)'
_computing_structure_refinement  'SHELXL Version 2014/7 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXT Version 2014/5 (Sheldrick, 2014)'
_diffrn_ambient_temperature      93
_diffrn_detector_area_resol_mean 7.111
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.990
_diffrn_measurement_device_type  'Rigaku Saturn724'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71075
_diffrn_reflns_av_R_equivalents  0.1570
_diffrn_reflns_av_unetI/netI     0.1527
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.990
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            53102
_diffrn_reflns_point_group_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.990
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.523
_diffrn_reflns_theta_min         3.003
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.209
_exptl_absorpt_correction_T_max  0.983
_exptl_absorpt_correction_T_min  0.716
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'REQAB (Rigaku, 1998)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.148
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1616.00
_exptl_crystal_recrystallization_method
'Re-crystallisation from solvent: Chloroform/methanol'
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.150
_exptl_crystal_size_min          0.080
_refine_diff_density_max         4.70
_refine_diff_density_min         -1.07
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.092
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_parameters     1015
_refine_ls_number_reflns         19768
_refine_ls_number_restraints     166
_refine_ls_R_factor_all          0.1579
_refine_ls_R_factor_gt           0.1202
_refine_ls_shift/su_max          0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^)+(0.2000P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.3337
_refine_ls_wR_factor_ref         0.3741
_reflns_Friedel_coverage         0.000
_reflns_number_gt                10485
_reflns_number_total             19768
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            d5sc05910k2.cif
_cod_data_source_block           Ishizone220313_TN015
_cod_depositor_comments          'Adding full bibliography for 1576101.cif.'
_cod_database_code               1576101
_shelx_res_checksum              64830
_shelx_fab_checksum              96543