Hydrophilic and hydrophobic carboxamide pincers as anion hosts.
Lohrman, Jessica; Pramanik, Subhamay; Kaur, Sandeep; Telikepalli, Hanumaiah; Day, Victor W.; Bowman-James, Kristin; Organic & biomolecular chemistry 19 (2021) 8516–8520; doi:10.1039/d1ob01605a

data_7158292
_publ_section_title
;
 Hydrophilic and hydrophobic carboxamide pincers as anion hosts.
;
_journal_issue                   39
_journal_name_full               'Organic &amp; biomolecular chemistry'
_journal_page_first              8516
_journal_page_last               8520
_journal_paper_doi               10.1039/d1ob01605a
_journal_volume                  19
_journal_year                    2021
_chemical_formula_sum            'C16 H26 N6 O9'
_chemical_formula_weight         446.43
_space_group_crystal_system      monoclinic
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_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_atom_sites_solution_hydrogens   difmap
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2019-12-28 deposited with the CCDC.	2021-09-06 downloaded from the CCDC.
;
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_diffrn_ambient_temperature      200(2)
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_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       '\f and \w scans'
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_diffrn_reflns_av_R_equivalents  0.0606
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_diffrn_reflns_Laue_measured_fraction_full 0.995
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_diffrn_source                   'Bruker MicroStar microfocus rotating anode'
_exptl_absorpt_coefficient_mu    1.004
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_exptl_absorpt_correction_T_min  0.461
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            colourless
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_exptl_crystal_description       Needle
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_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.024
_refine_ls_R_factor_all          0.0561
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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^)+(0.0776P)^2^+1.6745P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1429
_refine_ls_wR_factor_ref         0.1480
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_reflns_number_gt                3395
_reflns_number_total             3853
_reflns_threshold_expression     'I > 2\s(I)'
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_cod_data_source_block           q21f
_cod_depositor_comments
'Adding full bibliography for 7158292--7158294.cif.'
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7158292
_shelx_shelxl_version_number     2014/7
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_shelx_res_checksum              32588