data_3000464
loop_
_publ_author_name
'Aijima , Takaaki'
'Ueda, Rina'
'Nakane, Takanori'
'Makino, Fumiaki'
'Ohnishi, Yusuke'
'Nakajima, Keiichiro'
'Kamino, Shinichiro'
'Kurisu, Genji'
'Namba, Keiichi'
'Nakata, Hiroki'
'Mogi, Kaiki'
'Sajiki, Hironao'
'Akai, Shuji'
'Sawama, Yoshinari'
_journal_name_full               'To be published'
_chemical_formula_sum            'C14 H8 O4 S2'
_chemical_name_systematic
'Methyl 5-hydroxy-thieno[2',3':4,5]thieno[3,2-b]benzofuran-4-carboxylate'
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_cell_angle_alpha                95.74
_cell_angle_beta                 92.86
_cell_angle_gamma                91.59
_cell_length_a                   3.711
_cell_length_b                   13.550
_cell_length_c                   22.244
_cell_measurement_temperature    79
_cell_volume                     1110.921
_diffrn_ambient_temperature      79
_diffrn_radiation_probe          electron
_diffrn_radiation_type           electron
_diffrn_radiation_wavelength     0.01969
_refine_ls_goodness_of_fit_ref   1.639
_refine_ls_R_factor_all          0.2335
_refine_ls_wR_factor_gt          0.4658
_cod_database_code               3000464
_cod_hold_until_date             2024-02-13
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
? ? ? ?