Cancer cell discrimination and dynamic viability monitoring through wash-free bioimaging using AIEgens
Zhang, Ruoyao; Niu, Guangle; Lu, Qing; Huang, Xiaolin; Chau, Joe H. C.; Kwok, Ryan T. K.; Yu, Xiaoqiang; Li, Min-Hui; Lam, Jacky W. Y.; Tang, Ben Zhong; Chemical Science 11 (2020) 7676–7684; doi:10.1039/D0SC01213K

data_1557971
_publ_section_title
;
 Cancer cell discrimination and dynamic viability monitoring through
 wash-free bioimaging using AIEgens
;
_journal_issue                   29
_journal_name_full               'Chemical Science'
_journal_page_first              7676
_journal_page_last               7684
_journal_paper_doi               10.1039/D0SC01213K
_journal_volume                  11
_journal_year                    2020
_chemical_formula_sum            'C17 H17 F6 N2 P'
_chemical_formula_weight         394.29
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2020-02-26 deposited with the CCDC.	2020-04-30 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 95.373(4)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.8004(9)
_cell_length_b                   11.9948(15)
_cell_length_c                   21.500(3)
_cell_measurement_reflns_used    9590
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      74.57
_cell_measurement_theta_min      4.13
_cell_volume                     1746.0(4)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_diffrn_ambient_temperature      150(2)
_diffrn_detector_area_resol_mean 8.3
_diffrn_measured_fraction_theta_full 0.974
_diffrn_measured_fraction_theta_max 0.973
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  0.0668
_diffrn_reflns_av_unetI/netI     0.0440
_diffrn_reflns_Laue_measured_fraction_full 0.974
_diffrn_reflns_Laue_measured_fraction_max 0.973
_diffrn_reflns_limit_h_max       6
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            24274
_diffrn_reflns_point_group_measured_fraction_full 0.974
_diffrn_reflns_point_group_measured_fraction_max 0.973
_diffrn_reflns_theta_full        67.679
_diffrn_reflns_theta_max         74.619
_diffrn_reflns_theta_min         4.131
_exptl_absorpt_coefficient_mu    2.005
_exptl_absorpt_correction_T_max  0.585
_exptl_absorpt_correction_T_min  0.501
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'APEX2 Software Suite (Bruker, 2005)'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.500
_exptl_crystal_description       block
_exptl_crystal_F_000             808
_exptl_crystal_size_max          0.400
_exptl_crystal_size_mid          0.320
_exptl_crystal_size_min          0.300
_refine_diff_density_max         0.883
_refine_diff_density_min         -0.534
_refine_diff_density_rms         0.077
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.048
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     236
_refine_ls_number_reflns         3487
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.048
_refine_ls_R_factor_all          0.0876
_refine_ls_R_factor_gt           0.0851
_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^)+(0.1159P)^2^+3.0033P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2292
_refine_ls_wR_factor_ref         0.2315
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3291
_reflns_number_total             3487
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d0sc01213k2.cif
_cod_data_source_block           ZRY01-sad
_cod_depositor_comments
;Adding full bibliography for 1557971.cif.

 Adding full bibliography for 1557971.cif.
;
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               1557971
_shelx_shelxl_version_number     2014/7
_shelx_estimated_absorpt_t_min   0.501
_shelx_estimated_absorpt_t_max   0.584
_exptl_absorpt_special_details
;
about 2 hours for data collection, 
with scale.
;
_shelx_res_checksum              13930