Crown ether-appended calix[2]triazolium[2]arene as a macrocyclic receptor for the recognition of the H<sub>2</sub>PO<sub>4</sub><sup>-</sup> anion.
Cho, Jihee; Verwilst, Peter; Kang, Minjung; Pan, Jia-Lin; Sharma, Amit; Hong, Chang Seop; Kim, Jong Seung; Kim, Sanghee; Chemical communications (Cambridge, England) 56 (2020) 1038–1041; doi:10.1039/c9cc08906c

data_7125647
_publ_section_title
;
 Crown ether-appended calix[2]triazolium[2]arene as a macrocyclic receptor
 for the recognition of the H<sub>2</sub>PO<sub>4</sub><sup>-</sup> anion.
;
_journal_issue                   7
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              1038
_journal_page_last               1041
_journal_paper_doi               10.1039/c9cc08906c
_journal_volume                  56
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_space_group_name_Hall           '-P 2yn'
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_audit_update_record
;
2019-05-17 deposited with the CCDC.	2019-12-12 downloaded from the CCDC.
;
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_diffrn_ambient_temperature      100(2)
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_diffrn_measurement_device_type  'Rayonix MX225HS CCD area detector'
_diffrn_measurement_method       'omega scan'
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_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2017/1 (Sheldrick 2017)'
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_refine_ls_shift/su_mean         0.166
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.2000P)^2^+0.3140P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.5760
_refine_ls_wR_factor_ref         0.6016
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_reflns_number_total             16244
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c9cc08906c2.cif
_cod_data_source_block           CJH-11-12
_cod_depositor_comments
'Adding full bibliography for 7125644--7125647.cif.'
_cod_original_cell_volume        5055.2(18)
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_original_formula_sum        'C42 H48 B1.50 F6 N6 O9'
_cod_database_code               7125647
_shelx_shelxl_version_number     2017/1
_shelx_estimated_absorpt_t_min   0.960
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_shelx_res_checksum              38089