Stereoselective Production of Poly(rac-lactide) by ROP with Highly Efficient Bulky Heteroscorpionate Alkylmagnesium Initiators
Sánchez-Barba, Luis F.; Garcés, Andrés; Fernández-Baeza, Juan; Otero, Antonio; Alonso-Moreno, Carlos; Lara-Sánchez, Agustín; Rodríguez, Ana M.; Organometallics 30 (2011) 2775–; doi:10.1021/om200163t

data_4064536
_publ_section_title
;
 Stereoselective Production of Poly(rac-lactide) by ROP with Highly
 Efficient Bulky Heteroscorpionate Alkylmagnesium Initiators
;
_journal_issue                   10
_journal_name_full               Organometallics
_journal_page_first              2775
_journal_paper_doi               10.1021/om200163t
_journal_volume                  30
_journal_year                    2011
_chemical_formula_moiety         ' C32 H58 Mg N6'
_chemical_formula_sum            'C32 H58 Mg N6'
_chemical_formula_weight         551.15
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                93.384(3)
_cell_angle_beta                 93.316(2)
_cell_angle_gamma                109.409(3)
_cell_formula_units_Z            4
_cell_length_a                   10.4950(10)
_cell_length_b                   10.5070(10)
_cell_length_c                   34.072(5)
_cell_measurement_reflns_used    2545
_cell_measurement_temperature    220(2)
_cell_measurement_theta_max      18.743
_cell_measurement_theta_min      2.197
_cell_volume                     3525.5(7)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX'
_computing_data_reduction        'Bruker SAINT, SADABS, XPREP'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      220(2)
_diffrn_measured_fraction_theta_full 0.972
_diffrn_measured_fraction_theta_max 0.972
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'omega 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  0.0579
_diffrn_reflns_av_sigmaI/netI    0.1105
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       40
_diffrn_reflns_limit_l_min       -40
_diffrn_reflns_number            23197
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         2.06
_exptl_absorpt_coefficient_mu    0.078
_exptl_absorpt_correction_T_max  0.9861
_exptl_absorpt_correction_T_min  0.9800
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.038
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1216
_exptl_crystal_size_max          0.26
_exptl_crystal_size_mid          0.21
_exptl_crystal_size_min          0.18
_refine_diff_density_max         0.200
_refine_diff_density_min         -0.308
_refine_diff_density_rms         0.047
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.961
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     737
_refine_ls_number_reflns         12108
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.961
_refine_ls_R_factor_all          0.1399
_refine_ls_R_factor_gt           0.0666
_refine_ls_shift/su_max          0.012
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0810P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1416
_refine_ls_wR_factor_ref         0.1787
_reflns_number_gt                6512
_reflns_number_total             12108
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om200163t_si_002.cif
_cod_data_source_block           7a
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               4064536