A simple and effective 1,2,3-triazole based “turn-on” fluorescence sensor for the detection of anions
Ghosh, Debanjana; Rhodes, Shannon; Hawkins, Karena; Winder, Domonique; Atkinson, Austin; Ming, Weihua; Padgett, Clifford; Orvis, Jeffrey; Aiken, Karelle; Landge, Shainaz; New J. Chem. 39 (2015) 295–; doi:10.1039/C4NJ01411A

data_7054491
_publ_section_title
;
 A simple and effective 1,2,3-triazole based &#x201C;turn-on&#x201D;
 fluorescence sensor for the detection of anions
;
_journal_issue                   1
_journal_name_full               'New J. Chem.'
_journal_page_first              295
_journal_paper_doi               10.1039/C4NJ01411A
_journal_volume                  39
_journal_year                    2015
_chemical_formula_moiety         'C30 H47 F N4 O'
_chemical_formula_sum            'C30 H47 F N4 O'
_chemical_formula_weight         498.73
_chemical_name_systematic
'2-(4-phenyl-1-H-1,2,3-triazol-1-yl) phenol complex with Tetra-n-butylammonium fluoride'
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                90.0000
_cell_angle_beta                 105.413(11)
_cell_angle_gamma                90.0000
_cell_formula_units_Z            4
_cell_length_a                   9.575(9)
_cell_length_b                   20.505(17)
_cell_length_c                   15.880(15)
_cell_measurement_reflns_used    7592
_cell_measurement_temperature    173
_cell_measurement_theta_max      27.50
_cell_measurement_theta_min      1.70
_cell_volume                     3006(5)
_computing_cell_refinement       'CrystalClear-SM Expert 2.0 r15'
_computing_data_collection       'CrystalClear-SM Expert 2.0 r15 (Rigaku, 2011)'
_computing_data_reduction        'CrystalClear-SM Expert 2.0 r15'
_computing_molecular_graphics    'CrystalStructure 4.0'
_computing_publication_material  'CrystalStructure 4.0 (Rigaku, 2010)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SIR92 (Altomare, et al., 1994)'
_diffrn_ambient_temperature      173
_diffrn_detector_area_resol_mean 6.827
_diffrn_measured_fraction_theta_full 0.986
_diffrn_measured_fraction_theta_max 0.986
_diffrn_measurement_device_type  'Rigaku XtaLAB mini'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71075
_diffrn_reflns_av_R_equivalents  0.0585
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_k_min       -26
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            31516
_diffrn_reflns_theta_full        27.55
_diffrn_reflns_theta_max         27.55
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.071
_exptl_absorpt_correction_T_max  0.986
_exptl_absorpt_correction_T_min  0.878
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'REQAB (Rigaku, 1998)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.102
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1088.00
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.050
_exptl_crystal_size_min          0.0500
_refine_diff_density_max         0.440
_refine_diff_density_min         -0.310
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.066
_refine_ls_hydrogen_treatment    mixed
_refine_ls_number_parameters     329
_refine_ls_number_reflns         6862
_refine_ls_number_restraints     0
_refine_ls_R_factor_gt           0.0642
_refine_ls_shift/su_max          0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^)+(0.0879P)^2^+0.8019P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.2037
_reflns_number_gt                4971
_reflns_number_total             6862
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            c4nj01411a2.cif
_cod_data_source_block           x207j
_cod_depositor_comments          'Adding full bibliography for 7054491.cif.'
_cod_database_code               7054491