A selective hydrolytic and restructuring approach through a Schiff base design on a coumarin platform for "turn-on" fluorogenic sensing of Zn<sup>2</sup>.
Pandey, Abha; Asthana, Sharad Kumar; Prakash, Anand; Roy, Jagat Kumar; Tiwari, Ida; Upadhyay, K. K.; Dalton transactions (Cambridge, England : 2003) 48 (2019) 2068–2076; doi:10.1039/c8dt03211d

data_7048502
_publ_section_title
;
 A selective hydrolytic and restructuring approach through a Schiff base
 design on a coumarin platform for &quot;turn-on&quot; fluorogenic sensing
 of Zn<sup>2</sup>.
;
_journal_issue                   6
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              2068
_journal_page_last               2076
_journal_paper_doi               10.1039/c8dt03211d
_journal_volume                  48
_journal_year                    2019
_chemical_formula_moiety         'C22 H22 N3 O4'
_chemical_formula_sum            'C22 H23 N3 O4'
_chemical_formula_weight         393.43
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2018-11-16 deposited with the CCDC.
2019-01-02 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 95.874(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
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_cell_length_c                   18.7682(10)
_cell_measurement_reflns_used    4486
_cell_measurement_temperature    100(2)
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_cell_volume                     1912.57(17)
_computing_cell_refinement       'Bruker SAINT'
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_computing_structure_refinement  'SHELXL-2014 (Sheldrick 2014)'
_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_type           MoK\a
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_diffrn_reflns_av_R_equivalents  0.0760
_diffrn_reflns_av_unetI/netI     0.0858
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_diffrn_reflns_limit_l_min       -24
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_exptl_absorpt_correction_T_min  0.9800
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_exptl_absorpt_process_details   'SADABS V2014/5 (Bruker AXS Inc.)'
_exptl_crystal_colour            COLORLESS
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_exptl_crystal_size_max          0.210
_exptl_crystal_size_mid          0.180
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_refine_ls_extinction_method     none
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_refine_ls_number_reflns         4775
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.959
_refine_ls_R_factor_all          0.1599
_refine_ls_R_factor_gt           0.0657
_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^)+(0.0927P)^2^+0.3965P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1454
_refine_ls_wR_factor_ref         0.1874
_reflns_Friedel_coverage         0.000
_reflns_number_gt                2422
_reflns_number_total             4775
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c8dt03211d2.cif
_cod_data_source_block           CMD_a
_cod_depositor_comments
'Adding full bibliography for 7048502--7048504.cif.'
_cod_database_code               7048502
_shelx_shelxl_version_number     2014/7
_shelx_estimated_absorpt_t_min   0.980
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