Cationic sulfonium functionalization renders Znsalens with high fluorescence, good water solubility and tunable cell-permeability.
Tang, Juan; Xie, Da; Yin, Hao-Yan; Jing, Jing; Zhang, Jun-Long; Organic & biomolecular chemistry 14 (2016) 3360–3368; doi:10.1039/c6ob00249h

data_7154953
_publ_section_title
;
 Cationic sulfonium functionalization renders Znsalens with high
 fluorescence, good water solubility and tunable cell-permeability.
;
_journal_issue                   13
_journal_name_full               'Organic &amp; biomolecular chemistry'
_journal_page_first              3360
_journal_page_last               3368
_journal_paper_doi               10.1039/c6ob00249h
_journal_volume                  14
_journal_year                    2016
_chemical_formula_sum            'C37 H37 F6 N9 O8 S4 Zn'
_chemical_formula_weight         1043.36
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2013
_audit_update_record
;
2016-01-02 deposited with the CCDC.
2016-02-01 downloaded from the CCDC.
;
_cell_angle_alpha                114.179(4)
_cell_angle_beta                 93.853(3)
_cell_angle_gamma                114.821(4)
_cell_formula_units_Z            2
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_cell_length_b                   14.4337(6)
_cell_length_c                   14.5971(5)
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_cell_measurement_temperature    100.01(10)
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_computing_cell_refinement       'CrysAlisPro 1.171.38.41k (Rigaku OD, 2015)'
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_computing_data_reduction        'CrysAlisPro 1.171.38.41k (Rigaku OD, 2015)'
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_structure_solution    'SHELXL-2013 (Sheldrick, 2013)'
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_diffrn_measurement_device_type
;
SuperNova, Dual, Cu at zero, AtlasS2
;
_diffrn_radiation_type           CuK\a
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_diffrn_reflns_limit_k_min       -17
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_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_number            15554
_diffrn_reflns_point_group_measured_fraction_full 1.000
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_diffrn_reflns_theta_min         3.467
_diffrn_source
;
SuperNova (Cu) X-ray Source
;
_exptl_absorpt_coefficient_mu    3.330
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.72615
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.38.41k (Rigaku Oxford Diffraction, 2015)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            'pale yellow'
_exptl_crystal_density_diffrn    1.581
_exptl_crystal_description       plate
_exptl_crystal_F_000             1068
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.05
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_refine_diff_density_min         -1.171
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_refine_ls_extinction_method     none
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_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     615
_refine_ls_number_reflns         8538
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.034
_refine_ls_R_factor_all          0.0658
_refine_ls_R_factor_gt           0.0613
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
;
 w=1/[\s^2^(Fo^2^)+(0.0781P)^2^+3.9625P]
 where P=(Fo^2^+2Fc^2^)/3
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1583
_refine_ls_wR_factor_ref         0.1629
_reflns_Friedel_coverage         0.000
_reflns_number_gt                7787
_reflns_number_total             8538
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c6ob00249h2.cif
_cod_data_source_block           151224e
_cod_depositor_comments          'Adding full bibliography for 7154953.cif.'
_cod_original_cell_volume        2191.81(16)
_cod_database_code               7154953
_shelxl_version_number           2013-2
_shelx_res_checksum              43512
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