Discovery of <i>ortho-</i>Alkoxy Substituted Novel Sulfonylurea Compounds That Display Strong Herbicidal Activity against Monocotyledon Grasses.
Wang, Hai-Lian; Li, Hao-Ran; Zhang, Yi-Chi; Yang, Wen-Tao; Yao, Zheng; Wu, Ren-Jun; Niu, Cong-Wei; Li, Yong-Hong; Wang, Jian-Guo; Journal of agricultural and food chemistry  (2021) –; doi:10.1021/acs.jafc.1c02081

data_1564222
_publ_section_title
;
 Discovery of <i>ortho-</i>Alkoxy Substituted Novel Sulfonylurea Compounds
 That Display Strong Herbicidal Activity against Monocotyledon Grasses.
;
_journal_name_full               'Journal of agricultural and food chemistry'
_journal_paper_doi               10.1021/acs.jafc.1c02081
_journal_year                    2021
_chemical_formula_sum            'C15 H17 Cl N4 O5 S'
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_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
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_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      113(2)
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_diffrn_measurement_device_type  'rigaku saturn'
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_exptl_absorpt_correction_T_min  0.8783
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_refine_ls_R_factor_all          0.0583
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_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^)+(0.0603P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1070
_refine_ls_wR_factor_ref         0.1142
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3179
_reflns_number_total             4236
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            jf1c02081_si_001.cif
_cod_data_source_block           shelxl
_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/ACS/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 
;
_cod_database_code               1564222
_shelx_shelxl_version_number     2018/3
_shelx_estimated_absorpt_t_min   0.931
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_shelx_res_checksum              21448
_shelx_hkl_checksum              89191