Diastereoselective synthesis of chiral aminophenolate magnesium complexes and their application in the stereoselective polymerization of rac-lactide and rac-β-butyrolactone.
Wang, Haobing; Guo, Jianshuang; Yang, Yang; Ma, Haiyan; Dalton transactions (Cambridge, England : 2003) 45 (2016) 10942–10953; doi:10.1039/c6dt01126h

data_7039367
_publ_section_title
;
 Diastereoselective synthesis of chiral aminophenolate magnesium complexes
 and their application in the stereoselective polymerization of
 rac-lactide and rac-\b-butyrolactone.
;
_journal_issue                   27
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              10942
_journal_page_last               10953
_journal_paper_doi               10.1039/c6dt01126h
_journal_volume                  45
_journal_year                    2016
_chemical_absolute_configuration ad
_chemical_formula_sum            'C45 H65 Mg N3 O Si2'
_chemical_formula_weight         744.49
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_space_group_IT_number           1
_space_group_name_Hall           'P 1'
_space_group_name_H-M_alt        'P 1'
_symmetry_space_group_name_Hall  'P 1'
_symmetry_space_group_name_H-M   'P 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2013
_audit_update_record
;
2016-02-01 deposited with the CCDC.
2016-05-31 downloaded from the CCDC.
;
_cell_angle_alpha                64.610(3)
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_cell_angle_gamma                88.125(3)
_cell_formula_units_Z            1
_cell_length_a                   8.7667(15)
_cell_length_b                   11.5603(19)
_cell_length_c                   12.315(2)
_cell_measurement_reflns_used    3532
_cell_measurement_temperature    140(2)
_cell_measurement_theta_max      30.27
_cell_measurement_theta_min      2.70
_cell_volume                     1101.6(3)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
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_diffrn_ambient_temperature      140(2)
_diffrn_measured_fraction_theta_full 0.987
_diffrn_measured_fraction_theta_max 0.976
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0258
_diffrn_reflns_av_unetI/netI     0.0637
_diffrn_reflns_Laue_measured_fraction_full 0.987
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_exptl_absorpt_correction_T_max  0.7461
_exptl_absorpt_correction_T_min  0.6483
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_exptl_crystal_colour            colourless
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_refine_diff_density_max         1.024
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_refine_ls_abs_structure_details
; 
 Flack x determined using 1899 quotients [(I+)-(I-)]/[(I+)+(I-)] 
 (Parsons and Flack (2004), Acta Cryst. A60, s61). 
;
_refine_ls_abs_structure_Flack   0.02(9)
_refine_ls_extinction_method     none
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_refine_ls_R_factor_all          0.0714
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_refine_ls_shift/su_max          0.009
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.1000P)^2^+0.4905P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1528
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_reflns_Friedel_coverage         0.359
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_reflns_number_gt                7817
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_reflns_threshold_expression     'I > 2\s(I)'
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_cod_data_source_block           mo_dm13541_0m
_cod_depositor_comments
'Adding full bibliography for 7039365--7039368.cif.'
_cod_original_cell_volume        1101.7(3)
_cod_database_code               7039367
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_shelx_estimated_absorpt_t_max   0.987
_shelxl_version_number           2013-4
_shelx_res_checksum              32283