Aerobic Palladium(II)-Catalyzed Dehydrogenative Heck Reaction in the Synthesis of Pyrenyl Fluorophores. A Photophysical Study of β-Pyrenyl Acrylates in Solution and in the Solid State.
Piotrowicz, Michał; Zakrzewski, Janusz; Métivier, Rémi; Brosseau, Arnaud; Makal, Anna; Woźniak, Krzysztof; The Journal of organic chemistry 80 (2015) 2573–2581; doi:10.1021/jo502619k

data_4030690
_publ_section_title
;
 Aerobic Palladium(II)-Catalyzed Dehydrogenative Heck Reaction in the
 Synthesis of Pyrenyl Fluorophores. A Photophysical Study of \b-Pyrenyl
 Acrylates in Solution and in the Solid State.
;
_journal_issue                   5
_journal_name_full               'The Journal of organic chemistry'
_journal_page_first              2573
_journal_page_last               2581
_journal_paper_doi               10.1021/jo502619k
_journal_volume                  80
_journal_year                    2015
_chemical_formula_moiety         'C29 H32 O2'
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XL, G.M. Sheldrick, Acta Cryst.
(2008). A64, 112-122
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_diffrn_radiation_collimation    'focusing mirrors'
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_diffrn_source                   'microfocus sealed X-ray tube'
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'CrysAlisPro, Agilent Technologies, Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET) (compiled Aug 2 2013,16:46:58) Empirical absorption correction using spherical harmonics, implemented in SCALE3 ABSPACK scaling algorithm.'
_exptl_crystal_colour            'clear light yellow'
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'w=1/[\s^2^(Fo^2^)+(0.0753P)^2^+1.0525P] where P=(Fo^2^+2Fc^2^)/3'
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'Adding full bibliography for 4030689--4030690.cif.'
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;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Secondary CH2 refined with riding coordinates:
 C20(H20A,H20B)
2.b Aromatic/amide H refined with riding coordinates:
 C1(H1), C3(H3), C5(H5), C8(H8), C10(H10), C12(H12), C13(H13), C17(H17),
 C18(H18)
2.c Idealised Me refined as rotating group:
 C21(H21A,H21B,H21C), C23(H23A,H23B,H23C), C24(H24A,H24B,H24C), C25(H25A,H25B,
 H25C), C27(H27A,H27B,H27C), C28(H28A,H28B,H28C), C29(H29A,H29B,H29C)
;