Apoptosis-inducing activity of a fluorescent barrel-rosette M+/Cl− channel
Malla, Javid Ahmad; Umesh, Rintu M.; Vijay, Amal; Mukherjee, Arnab; Lahiri, Mayurika; Talukdar, Pinaki; Chemical Science 11 (2020) 2420–2428; doi:10.1039/C9SC06520B

data_1557189
_publ_section_title
;
 Apoptosis-inducing activity of a fluorescent barrel-rosette M+/Cl&#x2212;
 channel
;
_journal_issue                   9
_journal_name_full               'Chemical Science'
_journal_page_first              2420
_journal_page_last               2428
_journal_paper_doi               10.1039/C9SC06520B
_journal_volume                  11
_journal_year                    2020
_chemical_formula_sum            'C22 H12 F6 N2 O3'
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_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_audit_block_doi                 10.5517/ccdc.csd.cc21xp4t
_audit_creation_method           SHELXL-2018/1
_audit_update_record
;
2019-12-20 deposited with the CCDC.	2020-01-16 downloaded from the CCDC.
;
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_computing_cell_refinement       'Bruker SAINT'
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_diffrn_measured_fraction_theta_max 0.986
_diffrn_measurement_device_type  microfocus
_diffrn_measurement_method       '\f and \w scans'
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_diffrn_reflns_point_group_measured_fraction_max 0.986
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_diffrn_reflns_theta_min         4.761
_diffrn_source                   'Micro-focus X-ray source'
_diffrn_standards_decay_%        0.0(1)
_diffrn_standards_interval_count 90
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_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.1000P)^2^+0.4575P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1860
_refine_ls_wR_factor_ref         0.2590
_reflns_Friedel_coverage         0.000
_reflns_number_gt                1256
_reflns_number_total             3482
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c9sc06520b3.cif
_cod_data_source_block           Compound1c
_cod_depositor_comments
;Adding full bibliography for 1557189.cif.

 Adding full bibliography for 1557189.cif.
;
_cod_original_cell_volume        1918.4(3)
_cod_original_sg_symbol_H-M      'P 21/n'
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_shelx_res_checksum              50381
_shelx_fab_checksum              11123