Enantioselective Fluorescence Sensing of Chiral α-Amino Alcohols
Shuanglong Liu; John Paul C. Pestano; Christian Wolf; Journal of Organic Chemistry 73 (2008) 4267–4270; doi:10.1021/jo800506a

data_4023455
_publ_section_title
;
 Enantioselective Fluorescence Sensing of Chiral \a-Amino Alcohols
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              4267
_journal_page_last               4270
_journal_paper_doi               10.1021/jo800506a
_journal_volume                  73
_journal_year                    2008
_chemical_formula_moiety         'C46 H44 N2 O3'
_chemical_formula_sum            'C46 H44 N2 O3'
_chemical_formula_weight         672.34
_chemical_name_common            'N,N'-dioxide 2'
_chemical_name_systematic
;
 1,8-Bis(3,3'-(3-t-butyl)-9,9'-diacridyl)naphthalene N,N'-dioxide
;
_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
_cell_angle_alpha                89.484(2)
_cell_angle_beta                 75.542(2)
_cell_angle_gamma                77.474(2)
_cell_formula_units_Z            2
_cell_length_a                   11.3105(10)
_cell_length_b                   11.3912(10)
_cell_length_c                   14.7647(13)
_cell_measurement_reflns_used    6123
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      28.3
_cell_measurement_theta_min      2.26
_cell_volume                     1796.1(3)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      273(2)
_diffrn_measured_fraction_theta_full 0.947
_diffrn_measured_fraction_theta_max 0.925
_diffrn_measurement_device_type  'SMART platform CCD, Siemens/Bruker'
_diffrn_measurement_method       'omega scans'
_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  0.0344
_diffrn_reflns_av_sigmaI/netI    0.0641
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            16270
_diffrn_reflns_theta_full        28.00
_diffrn_reflns_theta_max         28.36
_diffrn_reflns_theta_min         1.91
_exptl_absorpt_coefficient_mu    0.082
_exptl_absorpt_correction_T_max  0.9479
_exptl_absorpt_correction_T_min  0.9233
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            Red
_exptl_crystal_density_diffrn    1.231
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             700
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.1
_refine_diff_density_max         0.805
_refine_diff_density_min         -0.706
_refine_diff_density_rms         0.059
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.018
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     468
_refine_ls_number_reflns         8309
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.018
_refine_ls_R_factor_all          0.1146
_refine_ls_R_factor_gt           0.0629
_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^)+(0.0724P)^2^+1.3268P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1473
_refine_ls_wR_factor_ref         0.1749
_reflns_number_gt                5028
_reflns_number_total             8309
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            jo800506a-File001.cif
_cod_data_source_block           d:\07079n~1\work\p-1
_cod_database_code               4023455