data_3000199
loop_
_publ_author_name
'Silvia González-Pelayo'
'Enol López H.'
'Javier Borge'
'Noemí de-los-Santos-Álvarez'
'Luis A. López'
_publ_section_title
;
 Trapping para-Quinone Methide Intermediates with Ferrocene:
 Synthesis and Preliminary Biological Evaluation of New Phenol-Ferrocene
 Conjugates
;
_journal_name_full               'To be published in Molecules'
_chemical_formula_sum            'C23 H20 Fe O'
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 96.990(6)
_cell_angle_gamma                90
_cell_length_a                   15.6620(12)
_cell_length_b                   6.0219(3)
_cell_length_c                   18.7859(11)
_cell_measurement_temperature    299(2)
_cell_volume                     1758.62(19)
_diffrn_ambient_temperature      299(2)
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_refine_ls_goodness_of_fit_ref   1.118
_refine_ls_R_factor_all          0.0899
_refine_ls_R_factor_gt           0.0789
_refine_ls_wR_factor_gt          0.2466
_refine_ls_wR_factor_ref         0.2554
_cod_database_code               3000199
_cod_hold_until_date             2018-10-07
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
? ? ? ?
