A triply linked propellane-nanoring hybrid serving as a good host
Chen, Yan; Chen, Xingyu; Li, Lin; Chen, Xiangping; Xia, Jianlong; Zhang, Lei; Chemical Science 16 (2025) 6822–6827; doi:10.1039/D5SC00713E

data_1574139
_publ_section_title
;
 A triply linked propellane-nanoring hybrid serving as a good host
;
_journal_issue                   16
_journal_name_full               'Chemical Science'
_journal_page_first              6822
_journal_page_last               6827
_journal_paper_doi               10.1039/D5SC00713E
_journal_volume                  16
_journal_year                    2025
_chemical_formula_moiety
'C257 H249 N3 O6, 3(C60), 10[C7H8], 1.5[C7H8], 1.5[C7H8]'
_chemical_formula_sum            'C528 H353 N3 O6'
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_space_group_name_Hall           '-P 1'
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_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2019/2
_audit_update_record
;
2025-03-08 deposited with the CCDC.	2025-03-11 downloaded from the CCDC.
;
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'CrysAlisPro system (CCD 43.114a 64-bit (release 14-03-2024))'
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_diffrn_detector_area_resol_mean 10.0000
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_diffrn_radiation_type           CuK\a
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_diffrn_reflns_av_unetI/netI     0.1320
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_exptl_absorpt_process_details
;
CrysAlisPro 1.171.43.114a (Rigaku Oxford Diffraction, 2024)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            red
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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^)+(0.0011P)^2^+32.3560P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_number_gt                17357
_reflns_number_total             61475
_reflns_threshold_expression     'I > 2\s(I)'
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_cod_depositor_comments
'Adding full bibliography for 1574137--1574139.cif.'
_cod_original_cell_volume        17756.9(15)
_cod_database_code               1574139
_shelx_shelxl_version_number     2019/2
_shelx_estimated_absorpt_t_min   0.736
_shelx_res_checksum              32835
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