Iso-Selective Ring-Opening Polymerization of rac-Lactide Catalyzed by Crown Ether Complexes of Sodium and Potassium Naphthalenolates.
Xiong, Jiao; Zhang, Jinjin; Sun, Yangyang; Dai, Zhongran; Pan, Xiaobo; Wu, Jincai; Inorganic chemistry 54 (2015) 1737–1743; doi:10.1021/ic502685f

data_4342282
_publ_section_title
;
 Iso-Selective Ring-Opening Polymerization of rac-Lactide Catalyzed by
 Crown Ether Complexes of Sodium and Potassium Naphthalenolates.
;
_journal_issue                   4
_journal_name_full               'Inorganic chemistry'
_journal_page_first              1737
_journal_page_last               1743
_journal_paper_doi               10.1021/ic502685f
_journal_volume                  54
_journal_year                    2015
_chemical_formula_sum            'C37 H37 Na O7'
_chemical_formula_weight         616.65
_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'
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2013
_cell_angle_alpha                90
_cell_angle_beta                 95.955(7)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.8771(8)
_cell_length_b                   25.0791(16)
_cell_length_c                   12.6244(9)
_cell_measurement_temperature    293(2)
_cell_volume                     3110.3(4)
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.844
_diffrn_measured_fraction_theta_max 0.869
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0532
_diffrn_reflns_av_unetI/netI     0.1127
_diffrn_reflns_Laue_measured_fraction_full 0.844
_diffrn_reflns_Laue_measured_fraction_max 0.869
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       29
_diffrn_reflns_limit_k_min       -29
_diffrn_reflns_limit_l_max       10
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            7981
_diffrn_reflns_point_group_measured_fraction_full 0.844
_diffrn_reflns_point_group_measured_fraction_max 0.869
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.000
_diffrn_reflns_theta_min         3.629
_exptl_absorpt_coefficient_mu    0.102
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.317
_exptl_crystal_description       block
_exptl_crystal_F_000             1304
_refine_diff_density_max         0.423
_refine_diff_density_min         -0.284
_refine_diff_density_rms         0.060
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.978
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     426
_refine_ls_number_reflns         4748
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.978
_refine_ls_R_factor_all          0.1393
_refine_ls_R_factor_gt           0.0820
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0996P)^2^+1.6437P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1963
_refine_ls_wR_factor_ref         0.2399
_reflns_Friedel_coverage         0.000
_reflns_number_gt                2585
_reflns_number_total             4748
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            ic502685f_si_003.cif
_cod_data_source_block           xiongj1208
_cod_depositor_comments
'Adding full bibliography for 4342282--4342283.cif.'
_cod_database_code               4342282
_shelxl_version_number           2013-4
_shelx_res_checksum              10589
_shelx_hkl_checksum              10773