Direct cyclopropanation of activated N-heteroarenes <i>via</i> site- and stereoselective dearomative reactions.
Lee, Jiyoun; Ko, Donguk; Park, Hyunju; Yoo, Eun Jeong; Chemical science 11 (2020) 1672–1676; doi:10.1039/c9sc06369b

data_1556993
_publ_section_title
;
 Direct cyclopropanation of activated N-heteroarenes <i>via</i> site- and
 stereoselective dearomative reactions.
;
_journal_issue                   6
_journal_name_full               'Chemical science'
_journal_page_first              1672
_journal_page_last               1676
_journal_paper_doi               10.1039/c9sc06369b
_journal_volume                  11
_journal_year                    2020
_chemical_formula_moiety         'C26 H24 N2 O2 S'
_chemical_formula_sum            'C26 H24 N2 O2 S'
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_space_group_crystal_system      triclinic
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_audit_update_record
;
2019-07-31 deposited with the CCDC.	2020-01-02 downloaded from the CCDC.
;
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_exptl_absorpt_coefficient_mu    0.154
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_exptl_absorpt_correction_T_min  0.5829
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_exptl_absorpt_process_details   'Bruker SADABS'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.151
_exptl_crystal_description       Block
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_platon_squeeze_details
;
;
_refine_diff_density_max         0.316
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_refine_ls_R_factor_gt           0.0504
_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^)+(0.0623P)^2^+0.1092P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1262
_refine_ls_wR_factor_ref         0.1367
_reflns_Friedel_coverage         0.000
_reflns_number_gt                4265
_reflns_number_total             6146
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c9sc06369b2.cif
_cod_data_source_block           No1_sqd
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_exptl_absorpt_correction_type' value 'Multi-scan' was
changed to 'multi-scan' in accordance with the
/home/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 last updated on
2011-04-26.

Automatic conversion script
Id: cif_fix_values 7556 2019-12-06 15:28:31Z antanas 

 Adding full bibliography for 1556993--1556994.cif.

 Adding full bibliography for 1556993--1556994.cif.
;
_cod_database_code               1556993
_shelx_shelxl_version_number     2014/7
_shelx_estimated_absorpt_t_min   0.967
_shelx_estimated_absorpt_t_max   0.988
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_shelx_res_checksum              25254