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_1505660
_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         'C45 H37 Fe N3 P2 '
_chemical_formula_sum            'C45 H37 Fe N3 P2'
_chemical_formula_weight         737.60
_space_group_IT_number           4
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      4
_symmetry_space_group_name_Hall  'P 2yb'
_symmetry_space_group_name_H-M   'P 1 21 1'
_cell_angle_alpha                90.0000
_cell_angle_beta                 116.34(4)
_cell_angle_gamma                90.0000
_cell_formula_units_Z            2
_cell_length_a                   13.618(17)
_cell_length_b                   10.383(11)
_cell_length_c                   13.95(2)
_cell_measurement_reflns_used    99
_cell_measurement_temperature    123.1
_cell_measurement_theta_max      31.5
_cell_measurement_theta_min      2.0
_cell_volume                     1768(4)
_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    SHELXS97
_diffrn_detector_area_resol_mean 7.31
_diffrn_measured_fraction_theta_full 0.898
_diffrn_measured_fraction_theta_max 0.898
_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  0.023
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            16194
_diffrn_reflns_theta_full        31.63
_diffrn_reflns_theta_max         31.63
_exptl_absorpt_coefficient_mu    0.555
_exptl_absorpt_correction_T_max  0.824
_exptl_absorpt_correction_T_min  0.626
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Jacobson, R. (1998) Private communication'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.385
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             768.00
_exptl_crystal_size_max          0.60
_exptl_crystal_size_mid          0.40
_exptl_crystal_size_min          0.35
_refine_diff_density_max         0.67
_refine_diff_density_min         -0.60
_refine_ls_abs_structure_details
'Flack, H. D. (1983), Acta Cryst. A39, 876-881.  4311 Friedel Pairs'
_refine_ls_abs_structure_Flack   -0.006(9)
_refine_ls_extinction_coef       106(10)
_refine_ls_extinction_method
'Larson (1970) Crystallographic Computing eq. 22'
_refine_ls_goodness_of_fit_ref   1.005
_refine_ls_hydrogen_treatment    mixed
_refine_ls_number_parameters     493
_refine_ls_number_reflns         8322
_refine_ls_R_factor_gt           0.0326
_refine_ls_shift/su_max          0.0100
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[0.0001Fo^2^ + 1.4500\s(Fo^2^)]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0345
_reflns_number_gt                8322
_reflns_number_total             9919
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            ol702519f-file003.cif
_cod_data_source_block           '__20070612'
_cod_original_formula_sum        'C45 H37 Fe N3 P2 '
_cod_database_code               1505660