Bisquinoline-based fluorescent zinc sensors
Mikata, Yuji; Yamashita, Azusa; Kawamura, Ayano; Konno, Hideo; Miyamoto, Yuka; Tamotsu, Satoshi; Dalton Transactions  (2009) 3800–3806; doi:10.1039/b820763a

data_7001292
_publ_section_title
;
 Bisquinoline-based fluorescent zinc sensors
;
_journal_issue                   19
_journal_name_full               'Dalton Transactions'
_journal_page_first              3800
_journal_page_last               3806
_journal_paper_doi               10.1039/b820763a
_journal_year                    2009
_chemical_formula_moiety         'C30 H38 N4 '
_chemical_formula_sum            'C30 H38 N4'
_chemical_formula_weight         454.66
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90.0000
_cell_angle_beta                 97.8141(10)
_cell_angle_gamma                90.0000
_cell_formula_units_Z            8
_cell_length_a                   36.380(2)
_cell_length_b                   12.3584(5)
_cell_length_c                   11.9292(7)
_cell_measurement_reflns_used    4104
_cell_measurement_temperature    173.1
_cell_measurement_theta_max      28.7
_cell_measurement_theta_min      1.7
_cell_volume                     5313.5(5)
_computing_cell_refinement       CrystalClear
_computing_data_collection       CrystalClear
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure 3.8'
_computing_structure_refinement  SHELXL
_computing_structure_solution    SIR92
_diffrn_ambient_temperature      173(2)
_diffrn_detector_area_resol_mean 7.31
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_device_type  'Rigaku Mercury'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71070
_diffrn_reflns_av_R_equivalents  0.042
_diffrn_reflns_limit_h_max       49
_diffrn_reflns_limit_h_min       -49
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            28088
_diffrn_reflns_theta_full        28.69
_diffrn_reflns_theta_max         28.69
_exptl_absorpt_coefficient_mu    0.067
_exptl_absorpt_correction_T_max  0.980
_exptl_absorpt_correction_T_min  0.774
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Jacobson, R. (1998) Private communication'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.137
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       unknown
_exptl_crystal_F_000             1968.00
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.30
_refine_diff_density_max         0.21
_refine_diff_density_min         -0.27
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.021
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     516
_refine_ls_number_reflns         6801
_refine_ls_R_factor_all          0.0824
_refine_ls_R_factor_gt           0.0493
_refine_ls_shift/su_max          0.0010
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^)+(0.0741P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1180
_refine_ls_wR_factor_ref         0.1431
_reflns_number_gt                4476
_reflns_number_total             6801
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            b820763a.txt
_cod_data_source_block           '__t-Bu2enQ2-55-1'
_cod_original_formula_sum        'C30 H38 N4 '
_cod_database_code               7001292