A quinoline-based probe for effective and selective sensing of aspartic acid in aqueous medium: in vitro and in vivo live cell imaging
Elamathi, C.; Butcher, R. J.; Mohankumar, A.; Sundararaj, P.; Madankumar, A.; Kalaivani, P.; Prabhakaran, R.; Inorganic Chemistry Frontiers 6 (2019) 3237–; doi:10.1039/C9QI00992B

data_4350102
_publ_section_title
;
 A quinoline-based probe for effective and selective sensing of aspartic
 acid in aqueous medium: in vitro and in vivo live cell imaging
;
_journal_issue                   11
_journal_name_full               'Inorganic Chemistry Frontiers'
_journal_page_first              3237
_journal_paper_doi               10.1039/C9QI00992B
_journal_volume                  6
_journal_year                    2019
_chemical_formula_moiety         'C19 H22 Cl2 Cu N4 O4'
_chemical_formula_sum            'C19 H22 Cl2 Cu N4 O4'
_chemical_formula_weight         504.84
_space_group_crystal_system      monoclinic
_space_group_IT_number           4
_space_group_name_Hall           'P 2yb'
_space_group_name_H-M_alt        'P 1 21 1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2018/1
_audit_update_record
;
2019-07-19 deposited with the CCDC.	2019-09-18 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 91.053(4)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   7.3965(18)
_cell_length_b                   9.957(2)
_cell_length_c                   13.900(3)
_cell_measurement_reflns_used    4723
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      25.123
_cell_measurement_theta_min      2.346
_cell_volume                     1023.5(4)
_computing_cell_refinement       'Bruker Apex 3'
_computing_data_collection       'Bruker Apex 3'
_computing_data_reduction        'Bruker Apex 3'
_computing_molecular_graphics    'Shelxtl (Sheldrick, 2008)'
_computing_publication_material  'Shelxtl (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-2018/1 (Sheldrick, 2015)'
_computing_structure_solution    'Shelxt (Sheldrick, 2015)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.948
_diffrn_measurement_device_type  'Bruker Apex 2'
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_unetI/netI     0.0600
_diffrn_reflns_Laue_measured_fraction_full 0.991
_diffrn_reflns_Laue_measured_fraction_max 0.948
_diffrn_reflns_number            4229
_diffrn_reflns_point_group_measured_fraction_full 0.932
_diffrn_reflns_point_group_measured_fraction_max 0.863
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.899
_diffrn_reflns_theta_min         2.516
_diffrn_source                   'sealed tube'
_exptl_absorpt_coefficient_mu    1.363
_exptl_absorpt_correction_T_max  0.768
_exptl_absorpt_correction_T_min  0.534
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Sadabs (Sheldrick, 1996)'
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.638
_exptl_crystal_description       plate
_exptl_crystal_F_000             518
_exptl_crystal_size_max          0.33
_exptl_crystal_size_mid          0.23
_exptl_crystal_size_min          0.08
_refine_diff_density_max         1.417
_refine_diff_density_min         -0.727
_refine_diff_density_rms         0.089
_refine_ls_abs_structure_details
;
 Flack x determined using 1557 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   0.035(8)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.062
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     285
_refine_ls_number_reflns         4229
_refine_ls_number_restraints     4
_refine_ls_restrained_S_all      1.062
_refine_ls_R_factor_all          0.0405
_refine_ls_R_factor_gt           0.0361
_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^)+(0.0478P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0905
_refine_ls_wR_factor_ref         0.0930
_reflns_Friedel_coverage         0.723
_reflns_Friedel_fraction_full    0.866
_reflns_Friedel_fraction_max     0.767
_reflns_number_gt                3905
_reflns_number_total             4229
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c9qi00992b3.cif
_cod_data_source_block           shelx_CCDC1
_cod_original_cell_volume        1023.6(4)
_cod_original_sg_symbol_H-M      'P 21'
_cod_database_code               4350102
_shelx_shelxl_version_number     2018/1
_shelx_res_checksum              3319
_shelx_hkl_checksum              97876