ClickFerrophos: new chiral ferrocenyl phosphine ligands synthesized by click chemistry and the use of their metal complexes as catalysts for asymmetric hydrogenation and allylic substitution.
Fukuzawa, Shin-ichi; Oki, Hiroshi; Hosaka, Mitsuteru; Sugasawa, Jun; Kikuchi, Satoshi; Organic letters 9 (2007) 5557–5560; doi:10.1021/ol702519f

data_1505659
_publ_section_title
;
 ClickFerrophos: new chiral ferrocenyl phosphine ligands synthesized by
 click chemistry and the use of their metal complexes as catalysts for
 asymmetric hydrogenation and allylic substitution.
;
_journal_issue                   26
_journal_name_full               'Organic letters'
_journal_page_first              5557
_journal_page_last               5560
_journal_paper_doi               10.1021/ol702519f
_journal_volume                  9
_journal_year                    2007
_chemical_absolute_configuration 'CHOOSE rm ad rmad syn or unk'
_chemical_formula_moiety         'C32 H28 Fe N3 P '
_chemical_formula_sum            'C32 H28 Fe N3 P'
_chemical_formula_weight         541.41
_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                   10.135(18)
_cell_length_b                   10.972(11)
_cell_length_c                   23.73(2)
_cell_measurement_reflns_used    130
_cell_measurement_temperature    123.1
_cell_measurement_theta_max      31.5
_cell_measurement_theta_min      1.7
_cell_volume                     2639(6)
_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    SIR97
_diffrn_detector_area_resol_mean 7.31
_diffrn_measured_fraction_theta_full 0.936
_diffrn_measured_fraction_theta_max 0.936
_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  0.039
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       31
_diffrn_reflns_limit_l_min       -35
_diffrn_reflns_number            24271
_diffrn_reflns_theta_full        31.68
_diffrn_reflns_theta_max         31.68
_exptl_absorpt_coefficient_mu    0.658
_exptl_absorpt_correction_T_max  0.821
_exptl_absorpt_correction_T_min  0.520
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Jacobson, R. (1998) Private communication'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.362
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1128.00
_exptl_crystal_size_max          0.70
_exptl_crystal_size_mid          0.40
_exptl_crystal_size_min          0.30
_refine_diff_density_max         1.14
_refine_diff_density_min         -0.81
_refine_ls_abs_structure_details
'Flack, H. D. (1983), Acta Cryst. A39, 876-881.  3384 Friedel Pairs'
_refine_ls_abs_structure_Flack   -0.034(12)
_refine_ls_extinction_coef       137(11)
_refine_ls_extinction_method
'Larson (1970) Crystallographic Computing eq. 22'
_refine_ls_goodness_of_fit_ref   1.000
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     364
_refine_ls_number_reflns         6718
_refine_ls_R_factor_gt           0.0402
_refine_ls_shift/su_max          0.0833
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     'w = 1/[1.1150\s(Fo^2^)]/(4Fo^2^)'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0712
_reflns_number_gt                6679
_reflns_number_total             8027
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            ol702519f-file002.cif
_cod_data_source_block           '__20070130'
_cod_original_formula_sum        'C32 H28 Fe N3 P '
_cod_database_code               1505659