Opposite-charge repulsive cation and anion pair cooperative organocatalysis in ring-opening polymerization
Xu, Jiaxi; Liu, Jingjing; Li, Zhenjiang; Xu, Songquan; Wang, Haixin; Guo, Tianfo; Gao, Yu; Zhang, Lei; Zhang, Chan; Guo, Kai; Polymer Chemistry 9 (2018) 2183–; doi:10.1039/C8PY00338F

data_1549077
_publ_section_title
;
 Opposite-charge repulsive cation and anion pair cooperative
 organocatalysis in ring-opening polymerization
;
_journal_issue                   16
_journal_name_full               'Polymer Chemistry'
_journal_page_first              2183
_journal_paper_doi               10.1039/C8PY00338F
_journal_volume                  9
_journal_year                    2018
_chemical_formula_sum            'C21 H18 Cl N3'
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_symmetry_space_group_name_Hall  'P 2ac 2ab 3'
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_audit_update_record
;
2016-10-14 deposited with the CCDC.
2018-03-14 downloaded from the CCDC.
;
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_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_diffrn_ambient_temperature      296(2)
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_diffrn_measurement_device_type  'Bruker APEX-II CCD'
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_refine_ls_abs_structure_details
;
 Refined as an inversion twin.
;
_refine_ls_abs_structure_Flack   0.2(3)
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.1820P)^2^+3.4136P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.3079
_refine_ls_wR_factor_ref         0.3135
_reflns_Friedel_coverage         0.788
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_reflns_Friedel_fraction_max     0.999
_reflns_number_gt                1846
_reflns_number_total             2045
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c8py00338f2.cif
_cod_data_source_block           20160728lmf_0m_a_sqd
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_absorpt_correction_type' value 'MULTI-SCAN' changed to
'multi-scan' 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 

 Adding full bibliography for 1549077.cif.
;
_cod_original_cell_volume        2451.6(4)
_cod_database_code               1549077
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_platon_squeeze_void_probe_radius 1.20
_shelx_res_checksum              10707