Design, synthesis and characterization of structurally dynamic cyclic N,S-acetals.
Kirkeby, Emily K.; Roberts, Andrew G.; Chemical communications (Cambridge, England) 56 (2020) 9118–9121; doi:10.1039/d0cc03503c

data_7126835
_publ_section_title
;
 Design, synthesis and characterization of structurally dynamic cyclic
 N,S-acetals.
;
_journal_issue                   64
_journal_name_full               'Chemical communications (Cambridge, England)'
_journal_page_first              9118
_journal_page_last               9121
_journal_paper_doi               10.1039/d0cc03503c
_journal_volume                  56
_journal_year                    2020
_chemical_formula_moiety         'C17 H17 N O S'
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;
2020-05-04 deposited with the CCDC.	2020-07-07 downloaded from the CCDC.
;
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_computing_structure_refinement  'SHELXL-2017/1 (Sheldrick, 2017)'
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_diffrn_measurement_device_type  'BRUKER APEXII CCD'
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_diffrn_source                   'Fine-focused sealed tube'
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_exptl_absorpt_process_details   SADABS-2016/2
_exptl_crystal_colour            'clear and colorless'
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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^)+(0.0475P)^2^+0.5247P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0985
_refine_ls_wR_factor_ref         0.1088
_reflns_Friedel_coverage         0.000
_reflns_number_gt                4375
_reflns_number_total             5960
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d0cc03503c2.cif
_cod_data_source_block           20181010AR_P
_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 7126834--7126836.cif.
;
_cod_original_sg_symbol_H-M      'P 21/c'
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_shelx_hkl_checksum              5821