Porphyrin Arch-Tapes: Synthesis, Contorted Structures, and Full Conjugation.
Fukui, Norihito; Kim, Taeyeon; Kim, Dongho; Osuka, Atsuhiro; Journal of the American Chemical Society 139 (2017) 9075–9088; doi:10.1021/jacs.7b05332

data_4126323
_publ_section_title
;
 Porphyrin Arch-Tapes: Synthesis, Contorted Structures, and Full
 Conjugation.
;
_journal_issue                   26
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              9075
_journal_page_last               9088
_journal_paper_doi               10.1021/jacs.7b05332
_journal_volume                  139
_journal_year                    2017
_chemical_formula_moiety         'C174 H184 N12 Ni3 O2'
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_cell_length_c                   23.325(10)
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_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_diffrn_ambient_temperature      93(2)
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_diffrn_measurement_device_type  'Rigaku XtaLAB P200'
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_diffrn_reflns_theta_max         63.000
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_exptl_absorpt_process_details   'REQAB (Rigaku, 1998)'
_exptl_crystal_colour            Gray
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_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.1430P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2642
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_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            ja7b05332_si_005.cif
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_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_absorpt_correction_type' value 'Multi-scan' changed to
'multi-scan' according to
/home/data/users/saulius/crontab/automatic-downloads/current/ACS/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 4973 2017-02-22 13:04:09Z antanas 
;
_cod_database_code               4126323
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_shelx_estimated_absorpt_t_min   0.810
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_shelx_res_checksum              12722
_shelx_hkl_checksum              50258
_platon_squeeze_void_probe_radius 1.20