Chirality-Induced Catalyst Aggregation: Insights into Catalyst Speciation and Activity Using Chiral Aluminum Catalysts in Cyclic Ester Ring-Opening Polymerization
Gesslbauer, Sami; Hutchinson, George; White, Andrew J. P.; Burés, Jordi; Romain, Charles; ACS Catalysis 11 (2021) 4084–4093; doi:10.1021/acscatal.0c05245

data_4518563
_publ_section_title
;
 Chirality-Induced Catalyst Aggregation: Insights into Catalyst Speciation
 and Activity Using Chiral Aluminum Catalysts in Cyclic Ester Ring-Opening
 Polymerization
;
_journal_issue                   7
_journal_name_full               'ACS Catalysis'
_journal_page_first              4084
_journal_page_last               4093
_journal_paper_doi               10.1021/acscatal.0c05245
_journal_volume                  11
_journal_year                    2021
_chemical_formula_moiety         'C82 H118 Al2 N4 O6, 1.25(C H2 Cl2)'
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; 
CrysAlisPro 1.171.38.46 (Rigaku Oxford Diffraction, 2015) 
Analytical numeric absorption correction using a multifaceted crystal 
model based on expressions derived by R.C. Clark & J.S. Reid. 
(Clark, R. C. & Reid, J. S. (1995). Acta Cryst. A51, 887-897) 
Empirical absorption correction using spherical harmonics, 
implemented in SCALE3 ABSPACK scaling algorithm. 
;
_exptl_crystal_colour            Colourless
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_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.1295P)^2^+6.5104P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_threshold_expression     'I > 2\s(I)'
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_cod_data_source_block           rac-2
_cod_depositor_comments
'Adding full bibliography for 4518561--4518563.cif.'
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_original_formula_sum        'C83.25 H120.50 Al2 Cl2.50 N4 O6'
_cod_database_code               4518563
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