Ring-opening polymerization of rac-lactide catalyzed by crown ether complexes of sodium and potassium iminophenoxides
Wu, Bing-Bing; Tian, Lu-Lu; Wang, Zhong-Xia; RSC Adv. 7 (2017) 24055–; doi:10.1039/C7RA03394J

data_7228196
_publ_section_title
;
 Ring-opening polymerization of rac-lactide catalyzed by crown ether
 complexes of sodium and&#x00A0;potassium iminophenoxides
;
_journal_issue                   39
_journal_name_full               'RSC Adv.'
_journal_page_first              24055
_journal_paper_doi               10.1039/C7RA03394J
_journal_volume                  7
_journal_year                    2017
_chemical_formula_sum            'C25 H34 K N O7'
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_symmetry_space_group_name_Hall  '-C 2yc'
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_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_audit_update_record
;
2017-03-23 deposited with the CCDC.
2017-04-26 downloaded from the CCDC.
;
_cell_angle_alpha                90.00
_cell_angle_beta                 133.796(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   24.817(2)
_cell_length_b                   17.2980(15)
_cell_length_c                   17.5045(16)
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_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
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_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      298(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  '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
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_diffrn_reflns_limit_h_min       -29
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -19
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_diffrn_reflns_theta_full        25.02
_diffrn_reflns_theta_max         25.02
_diffrn_reflns_theta_min         2.33
_exptl_absorpt_coefficient_mu    0.237
_exptl_absorpt_correction_T_max  0.9744
_exptl_absorpt_correction_T_min  0.9608
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.224
_exptl_crystal_density_meas      0
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       tabular
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0378P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1323
_refine_ls_wR_factor_ref         0.1517
_reflns_number_gt                2044
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_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c7ra03394j1.cif
_cod_data_source_block           161128a
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to
/home/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 4973 2017-02-22 13:04:09Z antanas 

2018-02-02
Z value and formula changed from absurd original values
                 miguel
;
_cod_original_cell_volume        5424.0(8)
_cod_original_sg_symbol_H-M      C2/c
_cod_original_formula_sum        'C2.38 H3.24 K0.10 N0.10 O0.67'
_cod_original_formula_units_Z    84
_cod_original_formula_weight     47.58
_cod_database_code               7228196