Turn-On Fluorescence Sensing of Nucleoside Polyphosphates Using a Xanthene-Based Zn(II) Complex Chemosensor
Akio Ojida; Ippei Takashima; Takahiro Kohira; Hiroshi Nonaka; Itaru Hamachi; Journal of the American Chemical Society 130 (2008) 12095–12101; doi:10.1021/ja803262w

data_4108303
_publ_section_title
;
 Turn-On Fluorescence Sensing of Nucleoside Polyphosphates Using a
 Xanthene-Based Zn(II) Complex Chemosensor
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              12095
_journal_page_last               12101
_journal_paper_doi               10.1021/ja803262w
_journal_volume                  130
_journal_year                    2008
_chemical_formula_moiety         'C39 H40 Cl2 N6 O15 Zn2 '
_chemical_formula_sum            'C39 H40 Cl2 N6 O15 Zn2'
_chemical_formula_weight         1034.44
_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'
_cell_angle_alpha                90.0000
_cell_angle_beta                 93.196(6)
_cell_angle_gamma                90.0000
_cell_formula_units_Z            4
_cell_length_a                   15.406(2)
_cell_length_b                   12.3503(13)
_cell_length_c                   21.961(2)
_cell_measurement_reflns_used    60082
_cell_measurement_temperature    123.0
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.1
_cell_volume                     4172.0(8)
_computing_cell_refinement       PROCESS-AUTO
_computing_data_collection       PROCESS-AUTO
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure 3.8'
_computing_structure_refinement  CRYSTALS
_computing_structure_solution    SIR92
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  RAPID-HR
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71075
_diffrn_reflns_av_R_equivalents  0.035
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            67223
_diffrn_reflns_theta_full        27.47
_diffrn_reflns_theta_max         27.47
_exptl_absorpt_coefficient_mu    1.357
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.647
_exptl_crystal_description       needle
_exptl_crystal_F_000             2120.00
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.10
_refine_diff_density_max         11.00
_refine_diff_density_min         -8.31
_refine_ls_extinction_coef       572(15)
_refine_ls_extinction_method
'Larson (1970) Crystallographic Computing eq. 22'
_refine_ls_goodness_of_fit_ref   2.994
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     618
_refine_ls_number_reflns         67223
_refine_ls_R_factor_gt           0.0541
_refine_ls_shift/su_max          0.0071
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     'w = 1/\s^2^(Fo^2^)'
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_ref         0.1306
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_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            ja803262w-file001.cif
_cod_data_source_block           '_kgnf2'
_cod_original_cell_volume        4172.0(9)
_cod_original_formula_sum        'C39 H40 Cl2 N6 O15 Zn2 '
_cod_database_code               4108303