data_2200853
_journal_name_full  'Acta Crystallographica, Section E'
_journal_year  2002
_journal_volume  58
_journal_page_first  o196
_journal_page_last  o197
_publ_section_title
;
n-Decane
;
loop_
_publ_author_name
  'Bond, Andrew D.'
  'Davies, John E.'
_chemical_name_common  n-decane
_chemical_formula_moiety  'C10 H22'
_chemical_formula_sum  'C10 H22'
_chemical_formula_iupac  'C10 H22'
_chemical_formula_weight  142.28
_chemical_melting_point  243
_symmetry_cell_setting  triclinic
_symmetry_space_group_name_H-M  'P -1'
loop_
_symmetry_equiv_pos_as_xyz
  'x, y, z'
  '-x, -y, -z'
_cell_length_a  4.1741(4)
_cell_length_b  4.7239(6)
_cell_length_c  13.5066(15)
_cell_angle_alpha  85.9740(10)
_cell_angle_beta  81.463(7)
_cell_angle_gamma  74.652(6)
_cell_volume  253.85(5)
_cell_formula_units_Z  1
_cell_measurement_temperature  150(2)
_exptl_crystal_density_diffrn  .931
_diffrn_ambient_temperature  150(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_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
_atom_site_type_symbol
  C1  .8145(4)  .2469(3)  .90220(10)  .0378(5) Uani d . 1 . . C
  H1A 1.032(5)  .112(4)  .8816(13)  .047(4) Uiso d . 1 . . H
  H1B  .659(4)  .132(4)  .9203(13)  .048(4) Uiso d . 1 . . H
  H1C  .822(5)  .348(4)  .9652(15)  .058(5) Uiso d . 1 . . H
  C2  .7018(3)  .4660(3)  .81807(9)  .0314(4) Uani d . 1 . . C
  H2A  .865(4)  .588(3)  .8014(11)  .041(4) Uiso d . 1 . . H
  H2B  .485(4)  .594(3)  .8401(11)  .039(4) Uiso d . 1 . . H
  C3  .6817(3)  .3198(2)  .72290(8)  .0269(4) Uani d . 1 . . C
  H3A  .899(4)  .184(3)  .7009(11)  .032(3) Uiso d . 1 . . H
  H3B  .523(4)  .199(3)  .7389(11)  .031(3) Uiso d . 1 . . H
  C4  .5746(3)  .5375(2)  .63783(8)  .0269(4) Uani d . 1 . . C
  H4A  .737(4)  .654(3)  .6228(11)  .035(4) Uiso d . 1 . . H
  H4B  .358(4)  .671(3)  .6601(11)  .032(3) Uiso d . 1 . . H
  C5  .5523(3)  .3915(2)  .54273(8)  .0265(4) Uani d . 1 . . C
  H5A  .767(4)  .255(3)  .5210(11)  .031(3) Uiso d . 1 . . H
  H5B  .390(4)  .270(3)  .5587(12)  .036(4) Uiso d . 1 . . H
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
  C1  .0419(8)  .0452(9)  .0268(7)  -.0105(7)  -.0103(5)  .0040(5)
  C2  .0360(7)  .0327(7)  .0253(6)  -.0069(5)  -.0073(5)  -.0004(5)
  C3  .0296(7)  .0270(7)  .0234(7)  -.0060(5)  -.0050(5)  .0012(5)
  C4  .0304(7)  .0263(7)  .0236(7)  -.0058(5)  -.0056(5)  .0010(5)
  C5  .0301(7)  .0259(7)  .0228(7)  -.0058(5)  -.0053(5)  .0011(5)
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
  C1 C2 . 1.5232(18) ?
  C1 H1A .  .976(18) ?
  C1 H1B .  .946(18) ?
  C1 H1C . 1.01(2) ?
  C2 C3 . 1.5242(15) ?
  C2 H2A .  .994(16) ?
  C2 H2B .  .963(16) ?
  C3 C4 . 1.5233(16) ?
  C3 H3A .  .979(16) ?
  C3 H3B .  .974(15) ?
  C4 C5 . 1.5257(15) ?
  C4 H4A .  .972(15) ?
  C4 H4B .  .976(16) ?
  C5 C5 2_666 1.523(2) ?
  C5 H5A .  .974(16) ?
  C5 H5B .  .988(16) ?