Foldamer engineering with squaramide and phenanthroline motifs: synthesis, characterisation, and structural insights.
Benny, Renitta; Andrews, Alex P.; De, Soumen; Chemical communications (Cambridge, England) 61 (2025) 14955–14958; doi:10.1039/d5cc03649f

data_7134912
_publ_section_title
;
 Foldamer engineering with squaramide and phenanthroline motifs:
 synthesis, characterisation, and structural insights.
;
_journal_issue                   77
_journal_name_full               'Chemical communications (Cambridge, England)'
_journal_page_first              14955
_journal_page_last               14958
_journal_paper_doi               10.1039/d5cc03649f
_journal_volume                  61
_journal_year                    2025
_chemical_formula_moiety         'C40 H24 N6 O2, 0.5(C6 H14)'
_chemical_formula_sum            'C43 H31 N6 O2'
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_audit_update_record
;
2025-07-30 deposited with the CCDC.	2025-08-19 downloaded from the CCDC.
;
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'Bruker APEX6 v2024.9-0'(Bruker AXS Inc., 2023)'
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_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device       'Bruker D8 QUEST'
_diffrn_measurement_device_type  'Four-circle Kappa diffractometer'
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_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 1.000
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_diffrn_reflns_limit_l_max       26
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_diffrn_reflns_number            95144
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 1.000
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_diffrn_source                   'microfocus sealed tube'
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_diffrn_source_target            Mo
_diffrn_source_type              'Incoatec I\mS 3.0'
_diffrn_source_voltage           50.0
_exptl_absorpt_coefficient_mu    0.073
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_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;Krause, L., Herbst-Irmer, R., Sheldrick, G. M., Stalke, D. (2015).
"Comparison of silver and molybdenum microfocus X-ray sources for single-crystal
 structure determination"
J. Appl. Cryst. 48, 3-10.
doi:10.1107/S1600576714022985
;
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.162
_exptl_crystal_density_meas      1.162
_exptl_crystal_density_method    NONE
_exptl_crystal_description       block
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_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^)+(0.1215P)^2^+11.0916P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1861
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_reflns_Friedel_coverage         0.000
_reflns_number_gt                3999
_reflns_number_total             6671
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d5cc03649f2.cif
_cod_data_source_block           shelx
_cod_depositor_comments
'Adding full bibliography for 7134910--7134912.cif.'
_cod_original_cell_volume        7590.2(14)
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               7134912
_shelx_shelxl_version_number     2019/3
_shelx_estimated_absorpt_t_min   0.986
_shelx_estimated_absorpt_t_max   0.996
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