Utilizing perhalopyridine-based alkynes as suitable precursors for the synthesis of novel poly(1,2,3-triazolyl)-substituted perhalopyridines
Khorasani, Fereshteh; Ranjbar-Karimi, Reza; Mohammadiannejad, Kazem; RSC Advances 14 (2024) 30873–30885; doi:10.1039/D4RA05861E

data_7249405
_publ_section_title
;
 Utilizing perhalopyridine-based alkynes as suitable precursors for the
 synthesis of novel poly(1,2,3-triazolyl)-substituted perhalopyridines
;
_journal_issue                   42
_journal_name_full               'RSC Advances'
_journal_page_first              30873
_journal_page_last               30885
_journal_paper_doi               10.1039/D4RA05861E
_journal_volume                  14
_journal_year                    2024
_chemical_formula_moiety         'C15 H9 Br Cl4 N4 O'
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Olex2 1.5
(compiled 2023.08.24 svn.re1ec1418 for OlexSys, GUI svn.r6817)
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2024-08-02 deposited with the CCDC.	2024-09-22 downloaded from the CCDC.
;
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_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
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_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.1135P)^2^+7.6473P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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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:
 C019(H01A,H01B), C023(H02A,H02B)
2.b Aromatic/amide H refined with riding coordinates:
 C011(H011), C014(H014), C021(H021), C022(H022), C026(H026)
;
_shelx_res_checksum              71562
_shelx_hkl_checksum              83010
_olex2_submission_special_instructions 'No special instructions were received'