data_2004862
_journal_name_full  'Acta Crystallographica'
_journal_year       1996
_journal_volume    'C52'
_journal_page_first     1305
_journal_page_last     1309
_publ_section_title
;
Multiple Hydrogen-Bonding Modes in Furan-2,5-dimethanol
and Furan-2,5-diylbis(diphenylmethanol)
;
_chemical_formula_moiety     'C6 H8 O3 '
_chemical_formula_sum     'C6 H8 O3'
_chemical_formula_weight     128.12
_symmetry_cell_setting    'Orthorhombic'
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'x+1/2, -y, -z'
'x, -y+1/2, z+1/2'
'x+1/2, y+1/2, -z+1/2'
_symmetry_space_group_name_H-M     'P 21 c n'
_cell_length_a     4.9220(5)
_cell_length_b     7.7525(6)
_cell_length_c     16.3663(11)
_cell_angle_alpha     90
_cell_angle_beta     90
_cell_angle_gamma     90
_cell_volume     624.50(9)
_cell_formula_units_Z     4
_exptl_crystal_density_diffrn     1.363
_cell_measurement_temperature     294.0(10)
loop_
_atom_site_label
_atom_site_occupancy
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
O1 1  .0003(5) -0.1332(2)  .34511(8)  .0399(4)
O2 1  -.0312(3) -0.4950(2)  .40257(10)  .0478(4)
O3 1  -.0318(4)  -.0135(2)  .17376(9)  .0508(4)
C2 1 -0.1388(6) -0.1891(3)  .41238(11)  .0408(5)
C3 1 -0.3464(6)  -.0828(3)  .42745(14)  .0484(6)
C4 1 -0.3384(6)  .0484(3)  .36707(14)  .0511(6)
C5 1 -0.1260(6)  .0134(2)  .31810(13)  .0425(5)
C6 1  -.0358(6) -0.3460(3)  .45326(11)  .0475(6)
C7 1  -.0139(7)  .0946(3)  .24381(12)  .0522(6)
H3 1 -0.4724 -0.0929  .46955  .058
H4 1 -0.4575  .1410  .36226  .061
H6A 1  .1470 -0.3238  .47272  .057
H6B 1 -0.1486 -0.3698  .50054  .057
H7A 1 -0.1113  .2010  .23317  .063
H7B 1  .1752  .1236  .25332  .063
H2A  .62 -0.1819 -0.5099  .3824  .042(7)
H2B  .38  .1126 -0.4985  .3773  .042(7)
H3A  .62 -0.1920 -0.0304  .1626  .042(7)
H3B  .38  .0964  .0064  .1432  .042(7)