Iridium(i)-catalyzed hydration/esterification of 2-alkynylphenols and carboxylic acids.
Zeng, Linwei; Chen, Renjie; Zhang, Chen; Xie, Hujun; Cui, Sunliang; Chemical communications (Cambridge, England) 56 (2020) 3093–3096; doi:10.1039/c9cc09984k

data_7125934
_publ_section_title
;
 Iridium(i)-catalyzed hydration/esterification of 2-alkynylphenols and
 carboxylic acids.
;
_journal_issue                   20
_journal_name_full               'Chemical communications (Cambridge, England)'
_journal_page_first              3093
_journal_page_last               3096
_journal_paper_doi               10.1039/c9cc09984k
_journal_volume                  56
_journal_year                    2020
_chemical_formula_moiety         'C21 H15 N O5'
_chemical_formula_sum            'C21 H15 N O5'
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Olex2 1.2
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2019-01-30 deposited with the CCDC.	2020-02-05 downloaded from the CCDC.
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CrysAlisPro, Agilent Technologies,
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CrysAlisPro, Agilent Technologies,
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  1 omega  -68.00   21.00   1.0000   10.0000
omega____ theta____ kappa____ phi______ frames
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  2 omega  -54.00   36.00   1.0000   10.0000
omega____ theta____ kappa____ phi______ frames
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  3 omega  -13.00   82.00   1.0000   10.0000
omega____ theta____ kappa____ phi______ frames
    -       11.7808   38.0000    0.0000 95
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CrysAlisPro, Agilent Technologies,
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Empirical absorption correction using spherical harmonics,
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_exptl_crystal_colour            yellow
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'w=1/[\s^2^(Fo^2^)+(0.0640P)^2^+0.3284P] where P=(Fo^2^+2Fc^2^)/3'
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'Adding full bibliography for 7125932--7125934.cif.'
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_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
2.a Secondary CH2 refined with riding coordinates:
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2.b Aromatic/amide H refined with riding coordinates:
 C1(H1), C2(H2), C3(H3), C4(H4), C5(H5), C10(H10), C11(H11), C12(H12),
 C13(H13), C17(H17), C18(H18), C20(H20), C21(H21), C22(H22), C23(H23), C24(H24),
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;
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