Preparation of biocompatible, biodegradable and sustainable polylactides catalyzed by aluminum complexes bearing unsymmetrical dinaphthalene-imine derivatives via ring-opening polymerization of lactides
Gao, Bo; Li, Dongni; Li, Xiang; Duan, Ranlong; Pang, Xuan; Cui, Yuan; Duan, Qian; Chen, Xuesi; Catal. Sci. Technol. 5 (2015) 4644–; doi:10.1039/C5CY00982K

data_1529201
_publ_section_title
;
 Preparation of biocompatible, biodegradable and sustainable polylactides
 catalyzed by aluminum complexes bearing unsymmetrical dinaphthalene-imine
 derivatives via ring-opening polymerization of lactides
;
_journal_issue                   9
_journal_name_full               'Catal. Sci. Technol.'
_journal_page_first              4644
_journal_paper_doi               10.1039/C5CY00982K
_journal_volume                  5
_journal_year                    2015
_chemical_formula_sum            'C71.5 H54 Al Cl5 N4 O3'
_chemical_formula_weight         1221.42
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_audit_update_record
;
2013-07-23 deposited with the CCDC.
2015-07-20 downloaded from the CCDC.
;
_cell_angle_alpha                90.00
_cell_angle_beta                 96.120(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   15.7200(17)
_cell_length_b                   14.2236(15)
_cell_length_c                   28.919(3)
_cell_measurement_reflns_used    3128
_cell_measurement_temperature    188(2)
_cell_measurement_theta_max      18.86
_cell_measurement_theta_min      2.48
_cell_volume                     6429.3(12)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_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      188(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Bruker APEX CCD area detector'
_diffrn_measurement_method       'phi and 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  0.0839
_diffrn_reflns_av_sigmaI/netI    0.0957
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       34
_diffrn_reflns_limit_l_min       -32
_diffrn_reflns_number            40810
_diffrn_reflns_theta_full        25.06
_diffrn_reflns_theta_max         25.06
_diffrn_reflns_theta_min         1.30
_exptl_absorpt_coefficient_mu    0.289
_exptl_absorpt_correction_T_max  0.9800
_exptl_absorpt_correction_T_min  0.9444
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_density_diffrn    1.262
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2532
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.07
_refine_diff_density_max         1.491
_refine_diff_density_min         -0.376
_refine_diff_density_rms         0.112
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.042
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     775
_refine_ls_number_reflns         11366
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.042
_refine_ls_R_factor_all          0.1492
_refine_ls_R_factor_gt           0.0904
_refine_ls_shift/su_max          0.009
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.1618P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2470
_refine_ls_wR_factor_ref         0.2841
_reflns_number_gt                6179
_reflns_number_total             11366
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c5cy00982k2.cif
_cod_data_source_block           w056
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to
/usr/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 3271 2015-04-21 07:52:19Z andrius 

 Adding full bibliography for 1529201--1529202.cif.
;
_cod_original_cell_volume        6429.2(12)
_cod_original_sg_symbol_H-M      P2(1)/c
_cod_original_formula_sum        'C71.50 H54 Al Cl5 N4 O3'
_cod_database_code               1529201