data_3000574
loop_
_publ_author_name
Zugenmaier
_journal_name_full               'To be published in Crystals'
_chemical_formula_sum            'C16 H13 N O3'
_chemical_name_systematic
;
methyl 2-((4'-cyano-[1,1' biphenyl]-4-yl)oxy)ethanate 
(CN-Bi-1-S-M)
;
_space_group_name_Hall           '-P 2yab'
_space_group_name_H-M_alt        'P 1 21/a 1'
_cell_angle_alpha                90
_cell_angle_beta                 104.850(5)
_cell_angle_gamma                90
_cell_length_a                   10.775(2)
_cell_length_b                   8.291(2)
_cell_length_c                   15.753(3)
_cell_measurement_temperature    293(2)
_cell_volume                     1360.3(5)
_diffrn_ambient_temperature      293(2)
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_refine_ls_goodness_of_fit_ref   1.078
_refine_ls_R_factor_all          0.0427
_refine_ls_R_factor_gt           0.0406
_refine_ls_wR_factor_gt          0.1133
_refine_ls_wR_factor_ref         0.1156
_cod_database_code               3000574
_cod_hold_until_date             2025-06-19
_cod_depositor_requested_release_date 2025-06-19
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
? ? ? ?
