Synthesis of a macrocyclic oligomer of pyridylbenzoxazole utilizing dynamic covalent bonds and its unsymmetric conversion.
Hokimoto, Yuya; Nakamura, Takashi; Chemical communications (Cambridge, England) 60 (2024) 1281–1284; doi:10.1039/d3cc06216c

data_7132579
_publ_section_title
;
 Synthesis of a macrocyclic oligomer of pyridylbenzoxazole utilizing
 dynamic covalent bonds and its unsymmetric conversion.
;
_journal_issue                   10
_journal_name_full               'Chemical communications (Cambridge, England)'
_journal_page_first              1281
_journal_page_last               1284
_journal_paper_doi               10.1039/d3cc06216c
_journal_volume                  60
_journal_year                    2024
_chemical_formula_moiety
'(C96 H96 N12 O12 2+), (C F3 S O3 -)2, (C H Cl3)6, (C H4 O)2'
_chemical_formula_sum            'C106 H110 Cl18 F6 N12 O20 S2 Zn'
_chemical_formula_weight         2753.64
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
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_audit_update_record
;
2023-11-14 deposited with the CCDC.	2024-01-03 downloaded from the CCDC.
;
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_diffrn_measurement_device_type  'Bruker D8 goniometer'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_monochromator  'multilayered confocal mirror'
_diffrn_radiation_source         'rotating anode X-ray tube'
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_diffrn_reflns_theta_min         1.465
_exptl_absorpt_coefficient_mu    0.705
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_exptl_absorpt_correction_T_min  0.7032
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;    
 SADABS-2016/2 - Bruker AXS area detector scaling and absorption correction 
;
_exptl_crystal_colour            colourless
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_exptl_crystal_description       block
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_refine_ls_extinction_method     none
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_refine_ls_R_factor_all          0.1350
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_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.1452P)^2^+42.3155P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2609
_refine_ls_wR_factor_ref         0.3074
_reflns_Friedel_coverage         0.000
_reflns_number_gt                19812
_reflns_number_total             28126
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d3cc06216c2.cif
_cod_data_source_block           h194_b_a
_cod_depositor_comments
'Adding full bibliography for 7132576--7132579.cif.'
_cod_original_cell_volume        6129.8(3)
_cod_database_code               7132579
_shelx_shelxl_version_number     2018/3
_shelx_estimated_absorpt_t_min   0.884
_shelx_estimated_absorpt_t_max   0.966
_shelx_res_checksum              56183
_shelx_hkl_checksum              53766