A Chemosensor for Al3+ Ion in Aqueous Ethanol Medium: Photophysical and Live Cell Imaging Studies
Chatterjee, Nabanita; Maity, Shubhra Bikash; Samadder, Asmita; Mukherjee, Puspal; Khuda-Bukhsh, Anisur Rahman; Bharadwaj, Parimal K.; RSC Adv.  (2016) –; doi:10.1039/C5RA23968K

data_7224053
_publ_section_title
;
 A Chemosensor for Al3+ Ion in Aqueous Ethanol Medium: Photophysical and
 Live Cell Imaging Studies
;
_journal_name_full               'RSC Adv.'
_journal_paper_doi               10.1039/C5RA23968K
_journal_year                    2016
_chemical_formula_moiety         'C35 H36 N4 O5'
_chemical_formula_sum            'C35 H36 N4 O5'
_chemical_formula_weight         592.68
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_audit_update_record
;
2015-09-01 deposited with the CCDC.
2016-01-26 downloaded from the CCDC.
;
_cell_angle_alpha                70.869(6)
_cell_angle_beta                 74.940(5)
_cell_angle_gamma                78.883(6)
_cell_formula_units_Z            2
_cell_length_a                   9.376(3)
_cell_length_b                   12.051(4)
_cell_length_c                   14.783(5)
_cell_measurement_reflns_used    999
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      25.5
_cell_measurement_theta_min      1.80
_cell_volume                     1513.2(9)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.976
_diffrn_measured_fraction_theta_max 0.976
_diffrn_measurement_device_type  'BRUKER SMART APEX'
_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  0.0313
_diffrn_reflns_av_sigmaI/netI    0.0700
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            8244
_diffrn_reflns_theta_full        25.50
_diffrn_reflns_theta_max         25.50
_diffrn_reflns_theta_min         1.80
_exptl_absorpt_coefficient_mu    0.088
_exptl_absorpt_correction_T_max  0.9878
_exptl_absorpt_correction_T_min  0.9843
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.301
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             628
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.14
_refine_diff_density_max         0.270
_refine_diff_density_min         -0.259
_refine_diff_density_rms         0.066
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.046
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     397
_refine_ls_number_reflns         5511
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.046
_refine_ls_R_factor_all          0.0896
_refine_ls_R_factor_gt           0.0602
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0754P)^2^+0.5015P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1401
_refine_ls_wR_factor_ref         0.1732
_reflns_number_gt                3838
_reflns_number_total             5511
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c5ra23968k2.cif
_cod_data_source_block           L3
_cod_original_cell_volume        1513.3(8)
_cod_original_sg_symbol_H-M      p-1
_cod_database_code               7224053