Sulfonyl Group Dance: A Tool for the Synthesis of 6-Azido-2-sulfonylpurine Derivatives.
Zaķis, Ja Nis Miķelis; Ozols, Kristers; Novosjolova, Irina; Vilšķe Rsts, Reinis; Mishnev, Anatoly; Turks, Ma Ris; The Journal of organic chemistry 85 (2020) 4753–4771; doi:10.1021/acs.joc.9b03518

data_4038061
_publ_section_title
;
 Sulfonyl Group Dance: A Tool for the Synthesis of
 6-Azido-2-sulfonylpurine Derivatives.
;
_journal_issue                   7
_journal_name_full               'The Journal of organic chemistry'
_journal_page_first              4753
_journal_page_last               4771
_journal_paper_doi               10.1021/acs.joc.9b03518
_journal_volume                  85
_journal_year                    2020
_chemical_formula_moiety         'C19 H23 N7 O2 S'
_chemical_formula_sum            'C19 H23 N7 O2 S'
_chemical_formula_weight         413.50
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_diffrn_ambient_temperature      170(2)
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_diffrn_measurement_method       '\w scans'
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_diffrn_reflns_av_R_equivalents  0.0370
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_diffrn_source                   'micro-focus sealed X-ray tube'
_exptl_absorpt_coefficient_mu    1.660
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_exptl_absorpt_process_details
;
CrysAlisPro 1.171.40.21a (Rigaku Oxford Diffraction, 2018)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            colourless
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_exptl_crystal_size_mid          0.12
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_refine_ls_abs_structure_details
;
 Refined as an inversion twin.
;
_refine_ls_abs_structure_Flack   0.313(16)
_refine_ls_extinction_method     none
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_refine_ls_number_restraints     12
_refine_ls_restrained_S_all      4.150
_refine_ls_R_factor_all          0.0378
_refine_ls_R_factor_gt           0.0370
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0598P)^2^+1.1229P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0979
_refine_ls_wR_factor_ref         0.0987
_reflns_Friedel_coverage         0.955
_reflns_Friedel_fraction_full    1.000
_reflns_Friedel_fraction_max     0.988
_reflns_number_gt                7703
_reflns_number_total             7898
_reflns_threshold_expression     'I > 2\s(I)'
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_cod_depositor_comments
'Adding full bibliography for 4038061--4038062.cif.'
_cod_database_code               4038061
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