6-Substituted quinoline-based ratiometric two-photon fluorescent probes for biological Zn2+ detection
Xiangming Meng; Shuxing Wang; Yiming Li; Manzhou Zhu; Qingxiang Guo; Chem.Commun. 48 (2012) 4196–; doi:10.1039/c2cc30471f

data_7107592
_publ_section_title
;
 6-Substituted quinoline-based ratiometric two-photon fluorescent probes
 for biological Zn2+ detection
;
_journal_name_full               Chem.Commun.
_journal_page_first              4196
_journal_paper_doi               10.1039/c2cc30471f
_journal_volume                  48
_journal_year                    2012
_chemical_formula_sum            'C34 H33 Cl2 N5 O10 Zn'
_chemical_formula_weight         807.92
_chemical_name_systematic
;
?
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                100.626(3)
_cell_angle_beta                 106.166(3)
_cell_angle_gamma                91.344(3)
_cell_formula_units_Z            4
_cell_length_a                   12.9920(5)
_cell_length_b                   14.2885(5)
_cell_length_c                   20.9414(7)
_cell_measurement_reflns_used    12319
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      62.7001
_cell_measurement_theta_min      3.1540
_cell_volume                     3658.2(2)
_computing_cell_refinement       'CrysAlisPro (Oxford Diffraction Ltd.)'
_computing_data_collection       'CrysAlisPro (Oxford Diffraction Ltd.)'
_computing_data_reduction        'CrysAlisPro (Oxford Diffraction Ltd.)'
_computing_molecular_graphics    'Ortep-3 (L. J. Farrugia, 2001)'
_computing_publication_material  SHELXL-97
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      291(2)
_diffrn_detector_area_resol_mean 15.9149
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_device_type  'Gemini S Ultra, Oxford Diffraction'
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_source         'Enhance Ultra (Cu) X-ray Source'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0372
_diffrn_reflns_av_sigmaI/netI    0.0349
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            37638
_diffrn_reflns_theta_full        62.76
_diffrn_reflns_theta_max         62.76
_diffrn_reflns_theta_min         3.16
_exptl_absorpt_coefficient_mu    2.816
_exptl_absorpt_correction_T_max  0.5514
_exptl_absorpt_correction_T_min  0.4854
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.34.40 (release 27-08-2010 CrysAlis171 .NET)
(compiled Aug 27 2010,11:50:40)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_density_diffrn    1.467
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1664
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.28
_exptl_crystal_size_min          0.24
_refine_diff_density_max         0.943
_refine_diff_density_min         -0.629
_refine_diff_density_rms         0.075
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.078
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     955
_refine_ls_number_reflns         11646
_refine_ls_number_restraints     172
_refine_ls_restrained_S_all      1.155
_refine_ls_R_factor_all          0.0901
_refine_ls_R_factor_gt           0.0750
_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^)+(0.0994P)^2^+4.9977P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1989
_refine_ls_wR_factor_ref         0.2141
_reflns_number_gt                9066
_reflns_number_total             11646
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c2cc30471f.txt
_cod_data_source_block           pt101112
_cod_database_code               7107592