Circular linkage of intramolecular multi-hydrogen bonding frameworks through nucleophilic substitutions of β-dicarbonyls onto cyanuric chloride and subsequent tautomerisation
Awatani, Ayano; Suzuki, Masaaki; RSC Advances 10 (2020) 39033–39036; doi:10.1039/D0RA07677E

data_7241663
_publ_section_title
;
 Circular linkage of intramolecular multi-hydrogen bonding frameworks
 through nucleophilic substitutions of \b-dicarbonyls onto cyanuric
 chloride and subsequent tautomerisation
;
_journal_issue                   64
_journal_name_full               'RSC Advances'
_journal_page_first              39033
_journal_page_last               39036
_journal_paper_doi               10.1039/D0RA07677E
_journal_volume                  10
_journal_year                    2020
_chemical_formula_moiety         'C21 H21 N3 O12'
_chemical_formula_sum            'C21 H21 N3 O12'
_chemical_formula_weight         507.41
_space_group_crystal_system      monoclinic
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_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2020-07-07 deposited with the CCDC.	2020-10-14 downloaded from the CCDC.
;
_cell_angle_alpha                90
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_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
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_diffrn_measured_fraction_theta_max 0.989
_diffrn_measurement_device_type  'Rigaku XtaLAB P200'
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_diffrn_reflns_Laue_measured_fraction_full 0.989
_diffrn_reflns_Laue_measured_fraction_max 0.989
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_exptl_absorpt_correction_T_max  0.979
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_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'REQAB (Rigaku, 1998)'
_exptl_crystal_colour            colorless
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_exptl_crystal_description       prism
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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^)+(0.0700P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_number_gt                2636
_reflns_number_total             3969
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d0ra07677e2.cif
_cod_data_source_block           80717su
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               7241663
_shelx_shelxl_version_number     2014/7
_shelx_estimated_absorpt_t_min   0.767
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_shelx_res_checksum              71118