A reversible and highly selective two-photon fluorescent "on-off-on" probe for biological Cu<sup>2+</sup> detection.
Wang, Hui; Fang, Bin; Zhou, Le; Li, Di; Kong, Lin; Uvdal, Kajsa; Hu, Zhangjun; Organic & biomolecular chemistry 16 (2018) 2264–2268; doi:10.1039/c8ob00257f

data_7156135
_publ_section_title
;
 A reversible and highly selective two-photon fluorescent
 &quot;on-off-on&quot; probe for biological Cu<sup>2+</sup> detection.
;
_journal_issue                   13
_journal_name_full               'Organic &amp; biomolecular chemistry'
_journal_page_first              2264
_journal_page_last               2268
_journal_paper_doi               10.1039/c8ob00257f
_journal_volume                  16
_journal_year                    2018
_chemical_formula_sum            'C21 H29 N3 O3'
_chemical_formula_weight         371.47
_space_group_crystal_system      orthorhombic
_space_group_IT_number           61
_space_group_name_Hall           '-P 2ac 2ab'
_space_group_name_H-M_alt        'P b c a'
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2017-05-02 deposited with the CCDC.
2018-03-05 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
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_cell_length_b                   9.0637(15)
_cell_length_c                   25.832(4)
_cell_measurement_temperature    293(2)
_cell_volume                     3926.9(11)
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0513
_diffrn_reflns_av_unetI/netI     0.0242
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       7
_diffrn_reflns_limit_k_min       -7
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            12896
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        18.305
_diffrn_reflns_theta_max         18.305
_diffrn_reflns_theta_min         1.577
_exptl_absorpt_coefficient_mu    0.085
_exptl_crystal_density_diffrn    1.257
_exptl_crystal_F_000             1600
_refine_diff_density_max         0.189
_refine_diff_density_min         -0.110
_refine_diff_density_rms         0.029
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.012
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     248
_refine_ls_number_reflns         1411
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.012
_refine_ls_R_factor_all          0.0473
_refine_ls_R_factor_gt           0.0365
_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^)+(0.0644P)^2^+1.4613P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0965
_refine_ls_wR_factor_ref         0.1026
_reflns_Friedel_coverage         0.000
_reflns_number_gt                1166
_reflns_number_total             1411
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c8ob00257f2.cif
_cod_data_source_block           20170329b_0m
_cod_depositor_comments          'Adding full bibliography for 7156135.cif.'
_cod_database_code               7156135
_shelx_shelxl_version_number     2014/7
_shelx_res_checksum              40730