A highly sensitive fluorescent probe based on simple pyrazoline for Zn(2+) in living neuron cells.
Zhang, Zhe; Wang, Fang-Wu; Wang, Sheng-Qing; Ge, Fei; Zhao, Bao-Xiang; Miao, Jun-Ying; Organic & biomolecular chemistry 10 (2012) 8640–8644; doi:10.1039/c2ob26375k

data_7152693
_publ_section_title
;
 A highly sensitive fluorescent probe based on simple pyrazoline for
 Zn(2+) in living neuron cells.
;
_journal_issue                   43
_journal_name_full               'Organic &amp; biomolecular chemistry'
_journal_page_first              8640
_journal_page_last               8644
_journal_paper_doi               10.1039/c2ob26375k
_journal_volume                  10
_journal_year                    2012
_chemical_formula_sum            'C20 H21 N3 O2 S'
_chemical_formula_weight         367.46
_chemical_name_systematic
;
?
;
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 124.377(7)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   26.280(10)
_cell_length_b                   10.188(4)
_cell_length_c                   16.786(6)
_cell_measurement_temperature    298(2)
_cell_volume                     3709(2)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0587
_diffrn_reflns_av_sigmaI/netI    0.0824
_diffrn_reflns_limit_h_max       31
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            8589
_diffrn_reflns_theta_full        25.50
_diffrn_reflns_theta_max         25.50
_diffrn_reflns_theta_min         2.21
_exptl_absorpt_coefficient_mu    0.194
_exptl_absorpt_correction_T_max  0.9809
_exptl_absorpt_correction_T_min  0.9623
_exptl_crystal_density_diffrn    1.316
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1552
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.297
_refine_diff_density_min         -0.262
_refine_diff_density_rms         0.062
_refine_ls_extinction_coef       0.0020(4)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   0.989
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     256
_refine_ls_number_reflns         3455
_refine_ls_number_restraints     34
_refine_ls_restrained_S_all      1.002
_refine_ls_R_factor_all          0.1492
_refine_ls_R_factor_gt           0.0624
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0854P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1474
_refine_ls_wR_factor_ref         0.1924
_reflns_number_gt                1571
_reflns_number_total             3455
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c2ob26375k.txt
_cod_data_source_block           p
_cod_database_code               7152693