Differentiating aliphatic and aromatic alcohols using triazine-based supramolecular organogelators: end group-specific selective gelation with chain length of alcohols.
Paul, Priya; Saha, Subhajit; Biradha, Kumar; Soft matter 20 (2024) 2568–2574; doi:10.1039/d4sm00017j

data_1571001
_publ_section_title
;
 Differentiating aliphatic and aromatic alcohols using triazine-based
 supramolecular organogelators: end group-specific selective gelation with
 chain length of alcohols.
;
_journal_issue                   11
_journal_name_full               'Soft matter'
_journal_page_first              2568
_journal_page_last               2574
_journal_paper_doi               10.1039/d4sm00017j
_journal_volume                  20
_journal_year                    2024
_chemical_formula_sum            'C42 H33 N3 O3'
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_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2024-01-04 deposited with the CCDC.	2024-02-14 downloaded from the CCDC.
;
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_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
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_diffrn_measurement_device_type  'Bruker APEX-3 CCD'
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_diffrn_reflns_Laue_measured_fraction_full 0.999
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_exptl_crystal_description       needle
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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^)+(0.0586P)^2^+0.1167P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_number_gt                3474
_reflns_number_total             6638
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d4sm00017j2.cif
_cod_data_source_block           gelator_G2
_cod_depositor_comments          'Adding full bibliography for 1571001.cif.'
_cod_original_cell_volume        3243.4(6)
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               1571001
_shelx_shelxl_version_number     2018/3
_shelx_res_checksum              95658
_shelx_hkl_checksum              45774