Discovery of Novel Thiazole Carboxamides as Antifungal Succinate Dehydrogenase Inhibitors.
Guo, Xiaofeng; Zhao, Bin; Fan, Zhijin; Yang, Dongyan; Zhang, Nailou; Wu, Qifan; Yu, Bin; Zhou, Shuang; Kalinina, Tatiana A.; Belskaya, Nataliya P.; Journal of agricultural and food chemistry 67 (2019) 1647–1655; doi:10.1021/acs.jafc.8b06935

data_1552557
_publ_section_title
;
 Discovery of Novel Thiazole Carboxamides as Antifungal Succinate
 Dehydrogenase Inhibitors.
;
_journal_issue                   6
_journal_name_full               'Journal of agricultural and food chemistry'
_journal_page_first              1647
_journal_page_last               1655
_journal_paper_doi               10.1021/acs.jafc.8b06935
_journal_volume                  67
_journal_year                    2019
_chemical_formula_sum            'C19 H15 F4 N2 O3 S2'
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_space_group_crystal_system      triclinic
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_cell_measurement_theta_max      28.2054
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_computing_cell_refinement       crystalclear
_computing_data_collection       crystalclear
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_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_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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_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
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_exptl_absorpt_process_details   crystalclear
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_exptl_crystal_description       Prism
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_refine_ls_R_factor_all          0.0896
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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^)+(0.0986P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_refine_ls_wR_factor_ref         0.1927
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_reflns_number_gt                2543
_reflns_number_total             4803
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            jf8b06935_si_002.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/current/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 6909 2019-04-08 15:41:33Z antanas 
;
_cod_original_cell_volume        1011.8(4)
_cod_database_code               1552557
_shelx_shelxl_version_number     2018/3
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_shelx_estimated_absorpt_t_max   0.962
_shelx_res_checksum              14852
_shelx_hkl_checksum              12583