Complexation of Some Phenol Hosts with Quinoline N-Oxide and the Structural Studies of Their Complexes by X-ray Crystallography
Hatano, Bunpei; Aikawa, Akiko; Katagiri, Hiroshi; Tagaya, Hideyuki; Takahashi, Hiroki; Chemistry Letters 36 (2007) 1272–; doi:10.1246/cl.2007.1272

data_8000144
_publ_section_title
;
 Complexation of Some Phenol Hosts with Quinoline N-Oxide and the
 Structural Studies of Their Complexes by X-ray Crystallography
;
_journal_issue                   10
_journal_name_full               'Chemistry Letters'
_journal_page_first              1272
_journal_paper_doi               10.1246/cl.2007.1272
_journal_volume                  36
_journal_year                    2007
_chemical_formula_moiety         'C23 H28 N1 O2 '
_chemical_formula_sum            'C23 H28 N O2'
_chemical_formula_weight         350.48
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                71.783(6)
_cell_angle_beta                 79.461(8)
_cell_angle_gamma                83.485(7)
_cell_formula_units_Z            2
_cell_length_a                   8.3731(7)
_cell_length_b                   9.641(1)
_cell_length_c                   13.283(2)
_cell_measurement_reflns_used    838
_cell_measurement_temperature    296.1
_cell_volume                     999.5(2)
_computing_cell_refinement       Unknown
_computing_data_collection       Unknown
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure 3.6.0'
_computing_structure_refinement  CRYSTALS
_computing_structure_solution    SIR92
_diffrn_detector_area_resol_mean 9.00
_diffrn_measured_fraction_theta_full 0.9778
_diffrn_measured_fraction_theta_max 0.9778
_diffrn_measurement_device_type  CCD
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.122
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            12212
_diffrn_reflns_theta_full        27.47
_diffrn_reflns_theta_max         27.47
_exptl_absorpt_coefficient_mu    0.073
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.164
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             378.00
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.30
_refine_diff_density_max         0.34
_refine_diff_density_min         -0.35
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.344
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     263
_refine_ls_number_reflns         1510
_refine_ls_R_factor_gt           0.0760
_refine_ls_shift/su_max          0.0040
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details
'w = 1/[0.0010Fo^2^ + 3.0000\s(Fo^2^) + 0.5000]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0940
_reflns_number_gt                1510
_reflns_number_total             4485
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            36-1272sup1.cif
_cod_data_source_block           '_global'
_cod_original_formula_sum        'C23 H28 N1 O2 '
_cod_database_code               8000144