Effective dehydrogenation of 2-pyridylmethanol derivatives catalyzed by an iron complex
Masahiro Kamitani; Masaki Ito; Masumi Itazaki; Hiroshi Nakazawa; Chem.Commun. 50 (2014) 7941–; doi:10.1039/C4CC01498G

data_7115295
_publ_section_title
;
 Effective dehydrogenation of 2-pyridylmethanol derivatives catalyzed by
 an iron complex
;
_journal_name_full               Chem.Commun.
_journal_page_first              7941
_journal_paper_doi               10.1039/C4CC01498G
_journal_volume                  50
_journal_year                    2014
_chemical_formula_moiety         'C17 H15 Fe N O '
_chemical_formula_sum            'C17 H15 Fe N O'
_chemical_formula_weight         305.16
_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                 102.863(4)
_cell_angle_gamma                90.0000
_cell_formula_units_Z            8
_cell_length_a                   15.794(3)
_cell_length_b                   10.620(2)
_cell_length_c                   17.360(4)
_cell_measurement_reflns_used    5540
_cell_measurement_temperature    200.1
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      4.0
_cell_volume                     2838.8(10)
_computing_cell_refinement       CrystalClear
_computing_data_collection       CrystalClear
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure 3.8'
_computing_structure_refinement  CRYSTALS
_computing_structure_solution    SIR92
_diffrn_ambient_temperature      200(2)
_diffrn_detector_area_resol_mean 7.31
_diffrn_measured_fraction_theta_full 0.982
_diffrn_measured_fraction_theta_max 0.982
_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  0.047
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            13634
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_exptl_absorpt_coefficient_mu    1.055
_exptl_absorpt_correction_T_max  0.900
_exptl_absorpt_correction_T_min  0.704
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Jacobson, R. (1998) Private communication'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.428
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       platelet
_exptl_crystal_F_000             1264.00
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.13
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.49
_refine_diff_density_min         -0.56
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.006
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     241
_refine_ls_number_reflns         3212
_refine_ls_R_factor_gt           0.0379
_refine_ls_shift/su_max          0.0000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[0.0002Fo^2^ + 1.0000\s(Fo^2^)]/(4Fo^2^)'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0837
_reflns_number_gt                2612
_reflns_number_total             3212
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            c4cc01498g2.cif
_cod_data_source_block           '__2011-159_KAM1805_120323'
_cod_original_formula_sum        'C17 H15 Fe N O '
_cod_database_code               7115295