Inorganic Anion Recognition in Aqueous Solution by Coupling Nearby Highly Hydrophilic and Hydrophobic Moieties in a Macrocyclic Receptor
Bencini, Andrea; Romano, Giammarco Maria; Savastano, Matteo; Bazzicalupi, Carla; Lippolis, Vito; Chelli, Riccardo; Dalton Transactions  (2023) –; doi:10.1039/D3DT00682D

data_7712745
_publ_section_title
;
 Inorganic Anion Recognition in Aqueous Solution by Coupling Nearby Highly
 Hydrophilic and Hydrophobic Moieties in a Macrocyclic Receptor
;
_journal_name_full               'Dalton Transactions'
_journal_paper_doi               10.1039/D3DT00682D
_journal_year                    2023
_chemical_formula_sum            'C24 H62 N5 O32 P7'
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2023-01-22 deposited with the CCDC.	2023-04-05 downloaded from the CCDC.
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CrysAlis RED, Oxford Diffraction Ltd.,
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CrysAlis CCD, Oxford Diffraction Ltd.,
Version 1.171.32.5 (release 08-05-2007 CrysAlis171 .NET)
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CrysAlis RED, Oxford Diffraction Ltd.,
Version 1.171.32.5 (release 08-05-2007 CrysAlis171 .NET)
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_diffrn_measured_fraction_theta_max 0.909
_diffrn_measurement_device_type  'Xcalibur, Onyx'
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_diffrn_reflns_point_group_measured_fraction_max 0.909
_diffrn_reflns_theta_full        58.098
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_exptl_absorpt_coefficient_mu    3.520
_exptl_absorpt_correction_T_max  1.0000
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CrysAlisPro, Oxford Diffraction Ltd.,
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Empirical absorption correction using spherical harmonics,
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_exptl_crystal_colour            colourless
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_refine_diff_density_min         -0.799
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_refine_ls_restrained_S_all      0.996
_refine_ls_R_factor_all          0.1488
_refine_ls_R_factor_gt           0.0739
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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^)+(0.0937P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1748
_refine_ls_wR_factor_ref         0.1945
_reflns_Friedel_coverage         0.000
_reflns_number_gt                2711
_reflns_number_total             5765
_reflns_threshold_expression     'I > 2\s(I)'
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_shelx_shelxl_version_number     2014/7
_shelx_res_checksum              90498
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