Design and Synthesis of a Fluorescent Probe for Zn2+, 5,7-Bis(N,N-dimethylaminosulfonyl)-8-hydroxyquinoline-Pendant 1,4,7,10-Tetraazacyclododecane and Zn2±Dependent Hydrolytic and Zn2±Independent Photochemical Reactivation of Its Benzenesulfonyl-Caged Derivative
Ryosuke Ohshima; Masanori Kitamura; Akinori Morita; Motoo Shiro; Yasuyuki Yamada; Masahiko Ikekita; Eiichi Kimura; Shin Aoki; Inorganic Chemistry 49 (2010) 888–899; doi:10.1021/ic901279t

data_4314626
_publ_section_title
;
 Design and Synthesis of a Fluorescent Probe for Zn2+,
 5,7-Bis(N,N-dimethylaminosulfonyl)-8-hydroxyquinoline-Pendant
 1,4,7,10-Tetraazacyclododecane and Zn2+-Dependent Hydrolytic and
 Zn2+-Independent Photochemical Reactivation of Its Benzenesulfonyl-Caged
 Derivative
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              888
_journal_page_last               899
_journal_paper_doi               10.1021/ic901279t
_journal_volume                  49
_journal_year                    2010
_chemical_formula_moiety         'C22 H34 N7 O5 S2 Zn, H2 O, N O3 '
_chemical_formula_sum            'C22 H36 N8 O9 S2 Zn'
_chemical_formula_weight         686.07
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90.0000
_cell_angle_beta                 93.923(3)
_cell_angle_gamma                90.0000
_cell_formula_units_Z            4
_cell_length_a                   11.602(5)
_cell_length_b                   13.792(6)
_cell_length_c                   17.941(8)
_cell_measurement_reflns_used    6408
_cell_measurement_temperature    133.1
_cell_measurement_theta_max      25.3
_cell_measurement_theta_min      3.1
_cell_volume                     2864(2)
_computing_cell_refinement       CrystalClear
_computing_data_collection       CrystalClear
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure 3.8'
_computing_structure_refinement  SHELXL
_computing_structure_solution    SIR2004
_diffrn_detector_area_resol_mean 7.31
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measurement_device_type  'Rigaku Saturn'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71070
_diffrn_reflns_av_R_equivalents  0.091
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            22048
_diffrn_reflns_theta_full        28.69
_diffrn_reflns_theta_max         28.69
_exptl_absorpt_coefficient_mu    1.068
_exptl_absorpt_correction_T_max  0.852
_exptl_absorpt_correction_T_min  0.676
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details
;
    Higashi, T. (1999). Program for Absorption Correction.
    Rigaku Corporation, Tokyo, Japan.
;
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.591
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1432.00
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.15
_refine_diff_density_max         1.04
_refine_diff_density_min         -0.83
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.999
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_parameters     380
_refine_ls_number_reflns         7339
_refine_ls_R_factor_gt           0.0646
_refine_ls_shift/su_max          0.0000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^)+(0.0922P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1901
_reflns_number_gt                4307
_reflns_number_total             7339
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            ic901279t_si_002_1.cif
_cod_data_source_block           11
_cod_original_formula_sum        'C22 H36 N8 O9 S2 Zn '
_cod_database_code               4314626