Selenide-containing organic resonance molecules as turn-on fluorescent probes for the selective detection of hypochlorous acid.
Jiang, He; Jia, Linlin; Li, Yuanyuan; Liu, Sirui; Chen, Runfeng; Jin, Lu; Jin, Jibiao; Zheng, Chao; Fan, Quli; Huang, Wei; Chemical communications (Cambridge, England) 54 (2018) 2926–2929; doi:10.1039/c8cc01267a

data_7121316
_publ_section_title
;
 Selenide-containing organic resonance molecules as turn-on fluorescent
 probes for the selective detection of hypochlorous acid.
;
_journal_issue                   23
_journal_name_full               'Chemical communications (Cambridge, England)'
_journal_page_first              2926
_journal_page_last               2929
_journal_paper_doi               10.1039/c8cc01267a
_journal_volume                  54
_journal_year                    2018
_chemical_formula_sum            'C30 H25 N2 P Se'
_chemical_formula_weight         523.45
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_audit_update_record
;
2017-12-27 deposited with the CCDC.
2018-02-22 downloaded from the CCDC.
;
_cell_angle_alpha                90.00
_cell_angle_beta                 103.247(6)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   11.612(3)
_cell_length_b                   17.433(5)
_cell_length_c                   12.594(3)
_cell_measurement_reflns_used    9797
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      0.857
_cell_measurement_theta_min      0.831
_cell_volume                     2481.6(11)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_device_type  'Bruker SMART APEX CCD'
_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  0.0303
_diffrn_reflns_av_sigmaI/netI    0.0344
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       -27
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_number            30981
_diffrn_reflns_theta_full        33.67
_diffrn_reflns_theta_max         33.67
_diffrn_reflns_theta_min         2.03
_exptl_absorpt_coefficient_mu    1.599
_exptl_absorpt_correction_T_max  0.8565
_exptl_absorpt_correction_T_min  0.8313
_exptl_crystal_density_diffrn    1.401
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1072
_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.11
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.357
_refine_diff_density_min         -0.668
_refine_diff_density_rms         0.061
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.020
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     307
_refine_ls_number_reflns         9797
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.020
_refine_ls_R_factor_all          0.0674
_refine_ls_R_factor_gt           0.0385
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0460P)^2^+0.7614P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0903
_refine_ls_wR_factor_ref         0.1041
_reflns_number_gt                6889
_reflns_number_total             9797
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c8cc01267a2.cif
_cod_data_source_block           1_CCDC1
_cod_depositor_comments
'Adding full bibliography for 7121315--7121317.cif.'
_cod_original_cell_volume        2481.5(11)
_cod_original_sg_symbol_H-M      'P 21/n '
_cod_database_code               7121316