Metal-free POCl<sub>3</sub> promoted stereoselective hydrochlorination of ethynylated azaheterocycles.
Kumar, Ritush; Singh, Radhey M.; Organic & biomolecular chemistry 17 (2019) 5990–5996; doi:10.1039/c9ob00841a

data_7156883
_publ_section_title
;
 Metal-free POCl<sub>3</sub> promoted stereoselective hydrochlorination of
 ethynylated azaheterocycles.
;
_journal_issue                   24
_journal_name_full               'Organic &amp; biomolecular chemistry'
_journal_page_first              5990
_journal_page_last               5996
_journal_paper_doi               10.1039/c9ob00841a
_journal_volume                  17
_journal_year                    2019
_chemical_formula_sum            'C19 H13 Cl N2 O'
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_space_group_crystal_system      monoclinic
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_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_symmetry_space_group_name_Hall  '-P 2yn'
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;
2019-05-08 deposited with the CCDC.    2019-05-28 downloaded from the CCDC.
;
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_exptl_absorpt_correction_type   multi-scan
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;
CrysAlisPro, Agilent Technologies,
Version 1.171.34.49 (release 20-01-2011 CrysAlis171 .NET)
(compiled Jan 20 2011,15:58:25)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            Green
_exptl_crystal_density_diffrn    1.359
_exptl_crystal_description       Rectangular
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_refine_ls_R_factor_gt           0.0635
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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^)+(0.0578P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1325
_refine_ls_wR_factor_ref         0.1738
_reflns_Friedel_coverage         0.000
_reflns_number_gt                1665
_reflns_number_total             3568
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c9ob00841a2.cif
_cod_data_source_block           shelx
_cod_depositor_comments          'Adding full bibliography for 7156883.cif.'
_cod_database_code               7156883
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_shelx_res_checksum              37184