Ethylene-Triggered Regioselectivity Switch of Dimethylbutadiene in Their Copolymerization: Formation of “Plastic” Rubber and Mechanism
Huang, Lixian; Liu, Zhaohe; Zhang, Yixin; Wu, Chunji; Cui, Dongmei; ACS Catalysis  (2021) 953–962; doi:10.1021/acscatal.1c04976

data_4519227
_publ_section_title
;
 Ethylene-Triggered Regioselectivity Switch of Dimethylbutadiene in Their
 Copolymerization: Formation of &#x201C;Plastic&#x201D; Rubber and
 Mechanism
;
_journal_name_full               'ACS Catalysis'
_journal_page_first              953
_journal_page_last               962
_journal_paper_doi               10.1021/acscatal.1c04976
_journal_year                    2021
_chemical_formula_sum            'C30 H45 N S Sc Si2'
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_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2021-04-17 deposited with the CCDC.	2021-10-30 downloaded from the CCDC.
;
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_computing_structure_refinement  'Bruker SHELXTL'
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_diffrn_ambient_temperature      153(2)
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_diffrn_reflns_point_group_measured_fraction_full 0.980
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_diffrn_reflns_theta_max         24.999
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_exptl_absorpt_coefficient_mu    0.382
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            red
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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^)+(0.0943P)^2^+0.5752P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            cs1c04976_si_003.cif
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_shelx_estimated_absorpt_t_max   0.989
_shelx_res_checksum              6409
_shelx_hkl_checksum              88878