data_30000104
loop_
_publ_author_name
'Mariela M. Nolasco'
'Pedro D. Vaz'
'Paulo Ribeiro-Claro'
_publ_section_title
;
 2,5-PBT (all-trans)
;
_journal_name_full               'To be published in Frontiers'
_chemical_formula_sum            'C10 H10 O5'
_space_group_name_Hall           'P -2y'
_space_group_name_H-M_alt        'P 1 m 1'
_cell_angle_alpha                90.0000
_cell_angle_beta                 90.0178
_cell_angle_gamma                90.0000
_cell_length_a                   5.5725
_cell_length_b                   6.8616
_cell_length_c                   24.9979
_cell_volume                     955.826
_tcod_database_code              30000104
_cod_hold_until_date             2023-02-30
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
? ? ? ?