Guest-dependent single-crystal-to-single-crystal transformations in porous adamantane-bearing macrocycles
Hyodo, Tadashi; Tominaga, Masahide; Yamaguchi, Kentaro; CrystEngComm 23 (2021) 1539–1543; doi:10.1039/D0CE01782E

data_7242213
_publ_section_title
;
 Guest-dependent single-crystal-to-single-crystal transformations in
 porous adamantane-bearing macrocycles
;
_journal_issue                   7
_journal_name_full               CrystEngComm
_journal_page_first              1539
_journal_page_last               1543
_journal_paper_doi               10.1039/D0CE01782E
_journal_volume                  23
_journal_year                    2021
_chemical_formula_sum            'C56 H50 Br4 N8 O4'
_chemical_formula_weight         1218.68
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2020-07-07 deposited with the CCDC.	2021-01-12 downloaded from the CCDC.
;
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_cell_length_c                   22.547(5)
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_cell_measurement_temperature    100(2)
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_computing_cell_refinement       'SAINT (Bruker AXS, 2015)'
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_diffrn_ambient_temperature      100(2)
_diffrn_detector_area_resol_mean 10.24
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.970
_diffrn_measurement_device_type  'BrukerD8 goniometer'
_diffrn_measurement_method       'omega and phi scans'
_diffrn_radiation_type           CuK\a
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_diffrn_reflns_limit_h_max       9
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_diffrn_reflns_limit_l_min       -28
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_diffrn_source                   'rotating-anode X-ray tube'
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_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   'SADABS Sheldrick 1996'
_exptl_crystal_colour            pink
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_exptl_crystal_description       prismatic
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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^)+(0.0499P)^2^+2.1550P] where P=(Fo^2^+2Fc^2^)/3'
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_cod_depositor_comments
'Adding full bibliography for 7242212--7242215.cif.'
_cod_original_cell_volume        2451.6(9)
_cod_original_sg_symbol_H-M      'P 21/c'
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_shelx_res_checksum              48571