data_2009043
_journal_name_full  'Acta Crystallographica'
_journal_year  1999
_journal_volume  C55
_journal_page_first  1687
_journal_page_last  1689
_publ_section_title
;
1,14-Tetradecanediol
;
loop_
_publ_author_name
  'Naotake Nakamura'
  'Taketoshi Sato'
_chemical_name_common  tetradecane-1,14-diol
_chemical_formula_moiety  'C14 H30 O2'
_chemical_formula_sum  'C14 H30 O2'
_chemical_formula_weight  230.39
_symmetry_cell_setting  monoclinic
_symmetry_space_group_name_H-M  'P 21/n'
loop_
_symmetry_equiv_pos_as_xyz
  x,y,z
  1/2-x,1/2+y,1/2-z
  -x,-y,-z
  1/2+x,1/2-y,1/2+z
_cell_length_a  4.9760(10)
_cell_length_b  5.1968(8)
_cell_length_c  27.955(3)
_cell_angle_alpha  90.0
_cell_angle_beta  93.820(10)
_cell_angle_gamma  90.0
_cell_volume  721.2(2)
_cell_formula_units_Z  2
_cell_measurement_temperature  298.2
_exptl_crystal_density_diffrn  1.061
_exptl_crystal_density_meas  1.07
_diffrn_ambient_temperature  298.2
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_thermal_displace_type
_atom_site_calc_flag
_atom_site_calc_attached_atom
_atom_site_refinement_flags
_atom_site_occupancy
  O1  -.1596(2)  .7719(2)  .76315(4)  .0752(4) Uani d . . 1.00
  C1  .0334(3)  .8122(3)  .80205(5)  .0544(4) Uani d . . 1.00
  C2  .1348(2)  .5571(3)  .82091(4)  .0494(4) Uani d . . 1.00
  C3  .3386(2)  .5842(2)  .86368(4)  .0478(4) Uani d . . 1.00
  C4  .4440(2)  .3283(2)  .88332(4)  .0473(4) Uani d . . 1.00
  C5  .6427(2)  .3555(2)  .92676(4)  .0467(4) Uani d . . 1.00
  C6  .7480(2)  .1002(2)  .94662(4)  .0465(4) Uani d . . 1.00
  C7  .9468(2)  .1276(2)  .99007(4)  .0469(4) Uani d . . 1.00
  H01  -.2226  .9343  .7513  .0860 Uiso calc O1. .. 1.00
  H1a  .1779  .9126  .7920  .0620 Uiso calc C1. .. 1.00
  H1b  -.0523  .9029  .8267  .0620 Uiso calc C1. .. 1.00
  H2a  .2187  .4704  .7960  .0577 Uiso calc C2. .. 1.00
  H2b  -.0140  .4588  .8303  .0577 Uiso calc C2. .. 1.00
  H3a  .4850  .6822  .8544  .0555 Uiso calc C3. .. 1.00
  H3b  .2523  .6706  .8886  .0555 Uiso calc C3. .. 1.00
  H4a  .5290  .2425  .8586  .0560 Uiso calc C4. .. 1.00
  H4b  .2943  .2293  .8923  .0560 Uiso calc C4. .. 1.00
  H5a  .7928  .4534  .9176  .0543 Uiso calc C5. .. 1.00
  H5b  .5578  .4429  .9513  .0543 Uiso calc C5. .. 1.00
  H6a  .8350  .0118  .9222  .0545 Uiso calc C6. .. 1.00
  H6b  .5997  .0010  .9558  .0545 Uiso calc C6. .. 1.00
  H7a 1.0982  .2253  .9812  .0537 Uiso calc C7. .. 1.00
  H7b  .8629  .2133 1.0149  .0537 Uiso calc C7. .. 1.00
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
  O1  .0900(9)  .0532(8)  .0746(8)  -.0017(5)  -.0530(6)  .0043(4)
  C1  .0613(8)  .0481(9)  .0500(7)  -.0028(6)  -.0244(5)  .0043(6)
  C2  .0537(8)  .0465(9)  .0450(7)  -.0008(6)  -.0174(5)  .0014(5)
  C3  .0498(8)  .0443(9)  .0467(7)  -.0022(5)  -.0167(5)  .0029(5)
  C4  .0490(8)  .0425(8)  .0478(8)  -.0020(5)  -.0169(6)  .0015(5)
  C5  .0496(8)  .0414(9)  .0465(8)  -.0016(5)  -.0166(6)  .0035(5)
  C6  .0489(8)  .0415(9)  .0465(8)  -.0018(5)  -.0158(6)  .0031(5)
  C7  .0491(8)  .0421(9)  .0469(8)  -.0020(5)  -.0161(6)  .0025(5)
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_1
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
  O1 C1 1_555 1_555 1.4170(10)
  yes
  O1 H01 1_555 1_555  .952 n
  C1 C2 1_555 1_555 1.502(2) yes
  C1 H1a 1_555 1_555  .947 n
  C1 H1b 1_555 1_555  .958 n
  C2 C3 1_555 1_555 1.5220(10)
  yes
  C2 H2a 1_555 1_555  .948 n
  C2 H2b 1_555 1_555  .950 n
  C3 C4 1_555 1_555 1.519(2) yes
  C3 H3a 1_555 1_555  .940 n
  C3 H3b 1_555 1_555  .955 n
  C4 C5 1_555 1_555 1.5200(10)
  yes
  C4 H4a 1_555 1_555  .946 n
  C4 H4b 1_555 1_555  .953 n
  C5 C6 1_555 1_555 1.518(2) yes
  C5 H5a 1_555 1_555  .953 n
  C5 H5b 1_555 1_555  .945 n
  C6 C7 1_555 1_555 1.5210(10)
  yes
  C6 H6a 1_555 1_555  .951 n
  C6 H6b 1_555 1_555  .950 n
  C7 C7 1_555 3_757 1.519(2) yes
  C7 H7a 1_555 1_555  .955 n
  C7 H7b 1_555 1_555  .945 n