Controlled or High-Speed Group Transfer Polymerization by Silyl Ketene Acetals without Catalyst
Chen, Jiawei; Gowda, Ravikumar R.; He, Jianghua; Zhang, Yuetao; Chen, Eugene Y.-X.; Macromolecules 49 (2016) 8075–; doi:10.1021/acs.macromol.6b01654

data_1554167
_publ_section_title
;
 Controlled or High-Speed Group Transfer Polymerization by Silyl Ketene
 Acetals without Catalyst
;
_journal_issue                   21
_journal_name_full               Macromolecules
_journal_page_first              8075
_journal_paper_doi               10.1021/acs.macromol.6b01654
_journal_volume                  49
_journal_year                    2016
_chemical_formula_moiety         'C30 H36 Fe2 O4 Si'
_chemical_formula_sum            'C30 H36 Fe2 O4 Si'
_chemical_formula_weight         600.38
_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   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 93.2918(17)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   13.7997(5)
_cell_length_b                   10.1592(4)
_cell_length_c                   19.6502(7)
_cell_measurement_reflns_used    9976
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      33.35
_cell_measurement_theta_min      2.49
_cell_volume                     2750.29(18)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX3'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       '\f and \w scans'
_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  0.0531
_diffrn_reflns_av_sigmaI/netI    0.0315
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -8
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_number            86021
_diffrn_reflns_theta_full        32.03
_diffrn_reflns_theta_max         32.03
_diffrn_reflns_theta_min         2.49
_exptl_absorpt_coefficient_mu    1.133
_exptl_absorpt_correction_T_max  0.7727
_exptl_absorpt_correction_T_min  0.4522
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SCALE (Bruker, 2009)'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.450
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             1256
_exptl_crystal_size_max          0.83
_exptl_crystal_size_mid          0.38
_exptl_crystal_size_min          0.24
_refine_diff_density_max         1.790
_refine_diff_density_min         -0.788
_refine_diff_density_rms         0.116
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.036
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     334
_refine_ls_number_reflns         9570
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.036
_refine_ls_R_factor_all          0.0648
_refine_ls_R_factor_gt           0.0463
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0690P)^2^+4.8192P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1255
_refine_ls_wR_factor_ref         0.1378
_reflns_number_gt                7577
_reflns_number_total             9570
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ma6b01654_si_002.cif
_cod_data_source_block           ec114
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               1554167