Selective alkane co-inclusion by methylene- and adamantane-bridged macrocycle with biphenyl units
Tominaga, Masahide; Fujimaru, Kousuke; Hyodo, Tadashi; Yamaguchi, Kentaro; CrystEngComm 23 (2021) 5157–5163; doi:10.1039/D1CE00722J

data_7243198
_publ_section_title
;
 Selective alkane co-inclusion by methylene- and adamantane-bridged
 macrocycle with biphenyl units
;
_journal_issue                   30
_journal_name_full               CrystEngComm
_journal_page_first              5157
_journal_page_last               5163
_journal_paper_doi               10.1039/D1CE00722J
_journal_volume                  23
_journal_year                    2021
_chemical_formula_sum            'C88 H102 Cl6 O4'
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_space_group_name_Hall           '-P 2yn'
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_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2021-05-28 deposited with the CCDC.	2021-06-22 downloaded from the CCDC.
;
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_diffrn_measurement_device_type  'BrukerD8 goniometer'
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_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2018/3 (Sheldrick 2018)'
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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^)+(0.1302P)^2^+4.7577P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_number_total             7813
_reflns_threshold_expression     'I > 2\s(I)'
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_cod_data_source_block           1a
_cod_depositor_comments
'Adding full bibliography for 7243198--7243201.cif.'
_cod_original_cell_volume        3773.6(9)
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               7243198
_shelx_shelxl_version_number     2018/3
_shelx_estimated_absorpt_t_min   0.638
_shelx_estimated_absorpt_t_max   0.638
_shelx_res_checksum              77516
_shelx_hkl_checksum              8115