Two new calix[4]resorcinarene-based coordination cages adjusted by metal ions for the Knoevenagel condensation reaction.
Pei, Wen-Yuan; Lu, Bing-Bing; Yang, Jin; Wang, Tianqi; Ma, Jian-Fang; Dalton transactions (Cambridge, England : 2003) 50 (2021) 9942–9948; doi:10.1039/d1dt01139a

data_7707801
_publ_section_title
;
 Two new calix[4]resorcinarene-based coordination cages adjusted by metal
 ions for the Knoevenagel condensation reaction.
;
_journal_issue                   28
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              9942
_journal_page_last               9948
_journal_paper_doi               10.1039/d1dt01139a
_journal_volume                  50
_journal_year                    2021
_chemical_absolute_configuration ad
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_chemical_formula_sum            'C284 H282 In11 N49 O113'
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_audit_update_record
;
2021-06-11 deposited with the CCDC.	2021-06-17 downloaded from the CCDC.
;
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_cell_measurement_theta_max      29.2954
_cell_measurement_theta_min      2.7764
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_computing_molecular_graphics    'Ortep for Windows (Farrugia, 2012)'
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_diffrn_measurement_method       '\w scans'
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_exptl_crystal_colour            yellow
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_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             7544
_exptl_crystal_size_max          0.320
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;
 Refined as an inversion twin.
;
_refine_ls_abs_structure_Flack   0.451(16)
_refine_ls_extinction_method     none
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_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0348P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1064
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_reflns_Friedel_fraction_full    0.942
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_reflns_number_gt                43232
_reflns_number_total             99928
_reflns_threshold_expression     'I > 2\s(I)'
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_cod_data_source_block           2-In
_cod_depositor_comments
'Adding full bibliography for 7707800--7707801.cif.'
_cod_original_sg_symbol_H-M      'P 21'
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_shelx_res_checksum              35996
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_shelx_fab_checksum              35268