Synthesis and Suzuki-Miyaura cross coupling reactions for post-synthetic modification of a tetrabromo-anthracenyl porphyrin.
Pijeat, Joffrey; Dappe, Yannick J.; Thuéry, Pierre; Campidelli, Stéphane; Organic & biomolecular chemistry 16 (2018) 8106–8114; doi:10.1039/c8ob02150c

data_7156499
_publ_section_title
;
 Synthesis and Suzuki-Miyaura cross coupling reactions for post-synthetic
 modification of a tetrabromo-anthracenyl porphyrin.
;
_journal_issue                   43
_journal_name_full               'Organic &amp; biomolecular chemistry'
_journal_page_first              8106
_journal_page_last               8114
_journal_paper_doi               10.1039/c8ob02150c
_journal_volume                  16
_journal_year                    2018
_chemical_absolute_configuration unk
_chemical_formula_sum            'C81 H45 Br4 N5 Zn'
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;
2018-07-11 deposited with the CCDC.
2018-10-09 downloaded from the CCDC.
;
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'SHELXTL (Sheldrick, 2008); PLATON (Spek, 2003)'
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'Nonius Kappa-CCD area-detector diffractometer'
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'two \f and three \w scans with 2\% steps (268 frames)'
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;
 Refined as an inversion twin.
;
_refine_ls_abs_structure_Flack   0.47(3)
_refine_ls_extinction_method     none
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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^)+(0.0844P)^2^+1.1265P] where P=(Fo^2^+2Fc^2^)/3'
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_reflns_number_gt                2372
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_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c8ob02150c2.cif
_cod_data_source_block           Zn(BrTAP)(py)
_cod_depositor_comments          'Adding full bibliography for 7156499.cif.'
_cod_original_cell_volume        3204.6(9)
_cod_database_code               7156499
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