Research on the controllable degradation of N-methylamido and dialkylamino substituted at the 5th position of the benzene ring in chlorsulfuron in acidic soil
Meng, Fan-Fei; Wu, Lei; Gu, Yu-Cheng; Zhou, Sha; Li, Yong-Hong; Chen, Ming-Gui; Zhou, Shaa; Zhao, Yang-Yang; Ma, Yi; Li, Zheng-Ming; RSC Advances 10 (2020) 17870–17880; doi:10.1039/D0RA00811G

data_7240488
_publ_section_title
;
 Research on the controllable degradation of N-methylamido and
 dialkylamino substituted at the 5th position of the benzene ring in
 chlorsulfuron in acidic soil
;
_journal_issue                   30
_journal_name_full               'RSC Advances'
_journal_page_first              17870
_journal_page_last               17880
_journal_paper_doi               10.1039/D0RA00811G
_journal_volume                  10
_journal_year                    2020
_chemical_formula_sum            'C16 H19 Cl N6 O4 S'
_chemical_formula_weight         426.88
_space_group_crystal_system      monoclinic
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_space_group_name_Hall           '-P 2ybc'
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_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2020-01-07 deposited with the CCDC.	2020-04-07 downloaded from the CCDC.
;
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_cell_measurement_theta_min      2.0200
_cell_volume                     1934.48(15)
_computing_cell_refinement       crystalclear
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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'
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_type           MoK\a
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_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            20402
_diffrn_reflns_point_group_measured_fraction_full 1.000
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_diffrn_reflns_theta_max         26.372
_diffrn_reflns_theta_min         2.028
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.342
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_exptl_absorpt_correction_T_min  0.51980
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   crystalclear
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_exptl_crystal_F_000             888
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_refine_ls_extinction_method     none
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_refine_ls_hydrogen_treatment    mixed
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_refine_ls_number_restraints     2
_refine_ls_restrained_S_all      1.039
_refine_ls_R_factor_all          0.0589
_refine_ls_R_factor_gt           0.0496
_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^)+(0.0639P)^2^+1.6125P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1274
_refine_ls_wR_factor_ref         0.1345
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3383
_reflns_number_total             3952
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d0ra00811g2.cif
_cod_data_source_block           r20191117b
_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 7240487--7240488.cif.
;
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7240488
_shelx_shelxl_version_number     2018/3
_shelx_estimated_absorpt_t_min   0.935
_shelx_estimated_absorpt_t_max   0.960
_shelx_res_checksum              64136