Redox-induced conformational alteration of n,n-diarylamides.
Okamoto, Iwao; Yamasaki, Ryu; Sawamura, Mika; Kato, Takako; Nagayama, Naomi; Takeya, Tetsuya; Tamura, Osamu; Masu, Hyuma; Azumaya, Isao; Yamaguchi, Kentaro; Kagechika, Hiroyuki; Tanatani, Aya; Organic letters 9 (2007) 5545–5547; doi:10.1021/ol702504x

data_1505656
_publ_section_title
;
 Redox-induced conformational alteration of n,n-diarylamides.
;
_journal_issue                   26
_journal_name_full               'Organic letters'
_journal_page_first              5545
_journal_page_last               5547
_journal_paper_doi               10.1021/ol702504x
_journal_volume                  9
_journal_year                    2007
_chemical_formula_moiety         'C14 H11 N O3 '
_chemical_formula_sum            'C14 H11 N O3'
_chemical_formula_weight         241.25
_space_group_IT_number           19
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      19
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_cell_angle_alpha                90.0000
_cell_angle_beta                 90.0000
_cell_angle_gamma                90.0000
_cell_formula_units_Z            4
_cell_length_a                   11.58(1)
_cell_length_b                   15.72(3)
_cell_length_c                   6.701(7)
_cell_measurement_temperature    298.1
_cell_volume                     1220(3)
_computing_cell_refinement       PROCESS
_computing_data_collection       PROCESS
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure 3.8.0'
_computing_structure_refinement  CRYSTALS
_computing_structure_solution    SIR2004
_diffrn_detector_area_resol_mean 10.00
_diffrn_measured_fraction_theta_full 0.846
_diffrn_measured_fraction_theta_max 0.846
_diffrn_measurement_device_type  'Rigaku RAXIS-II Imaging Plate'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71070
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       4
_diffrn_reflns_limit_l_min       -7
_diffrn_reflns_number            1064
_diffrn_reflns_theta_full        24.97
_diffrn_reflns_theta_max         24.97
_exptl_absorpt_coefficient_mu    0.093
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.314
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prisms
_exptl_crystal_F_000             504.00
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.32
_refine_diff_density_min         -0.22
_refine_ls_extinction_coef       526(101)
_refine_ls_extinction_method
'Larson (1970) Crystallographic Computing eq. 22'
_refine_ls_goodness_of_fit_ref   0.999
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     175
_refine_ls_number_reflns         1064
_refine_ls_R_factor_gt           0.0589
_refine_ls_shift/su_max          0.0000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[0.0033Fo^2^ + 1.0000\s(Fo^2^)]/(4Fo^2^)'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1601
_reflns_number_gt                952
_reflns_number_total             1064
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            ol702504x3.cif
_cod_data_source_block           compound3(03073yms)
_cod_original_formula_sum        'C14 H11 N O3 '
_cod_database_code               1505656