A series of water-soluble A‒π‒A′ typological indolium derivatives with two-photon properties for rapidly detecting HSO3−/SO32−in living cells
Zhu, Yingzhong; Du, Wei; Zhang, Mingzhu; Xu, Ying; Song, Leilei; Zhang, Qiong; Tian, Xiaohe; Zhou, Hongping; Wu, Jieying; Tian, Yupeng; Journal of Materials Chemistry B 5 (2017) 3862–; doi:10.1039/C7TB00726D

data_7236689
_publ_section_title
;
 A series of water-soluble A--\p--A&#x2032; typological indolium
 derivatives with two-photon properties for rapidly detecting
 HSO3&#x2212;/SO32&#x2212;in living cells
;
_journal_issue                   21
_journal_name_full               'Journal of Materials Chemistry B'
_journal_page_first              3862
_journal_paper_doi               10.1039/C7TB00726D
_journal_volume                  5
_journal_year                    2017
_chemical_formula_sum            'C22 H23 I2 N2 O'
_chemical_formula_weight         585.22
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2013
_audit_update_record
;
2016-12-17 deposited with the CCDC.
2017-04-22 downloaded from the CCDC.
;
_cell_angle_alpha                90.000(5)
_cell_angle_beta                 96.016(5)
_cell_angle_gamma                90.000(5)
_cell_formula_units_Z            4
_cell_length_a                   12.632(5)
_cell_length_b                   6.968(5)
_cell_length_c                   24.753(5)
_cell_measurement_temperature    298(2)
_cell_volume                     2166.8(18)
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0350
_diffrn_reflns_av_unetI/netI     0.0307
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_k_min       -8
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_number            14676
_diffrn_reflns_point_group_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_theta_full        25.240
_diffrn_reflns_theta_max         25.247
_diffrn_reflns_theta_min         1.621
_exptl_absorpt_coefficient_mu    2.917
_exptl_absorpt_correction_type   none
_exptl_crystal_density_diffrn    1.794
_exptl_crystal_F_000             1132
_exptl_crystal_size_max          0.300
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.200
_refine_diff_density_max         0.698
_refine_diff_density_min         -1.302
_refine_diff_density_rms         0.172
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.047
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     247
_refine_ls_number_reflns         3919
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.047
_refine_ls_R_factor_all          0.0304
_refine_ls_R_factor_gt           0.0289
_refine_ls_shift/su_max          0.012
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
;
 w=1/[\s^2^(Fo^2^)+(0.0459P)^2^+3.9074P]
 where P=(Fo^2^+2Fc^2^)/3
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0846
_refine_ls_wR_factor_ref         0.0870
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3697
_reflns_number_total             3919
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c7tb00726d2.cif
_cod_data_source_block           2
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7236689
_shelx_estimated_absorpt_t_min   0.475
_shelx_estimated_absorpt_t_max   0.593
_shelxl_version_number           2013-2
_shelx_res_checksum              33954
_shelx_hkl_checksum              25146