data_2000703
_journal_name_full  'Acta Cryst.'
_journal_year  1992
_journal_volume  C48
_journal_page_first  1501
_journal_page_last  1502
loop_
_publ_author_name
 'Choubal, M.D.'
 'Fernandez, E.J.'
 'Crumrine, D.S.'
 'Pavkovic, S.F.'
_chemical_formula_sum  'C16 H24 O4'
_chemical_formula_weight  280.36
_symmetry_cell_setting  triclinic
_symmetry_space_group_name_H-M  'P -1'
_symmetry_space_group_name_Hall  ?
_cell_length_a  6.5675(8)
_cell_length_b  11.9949(14)
_cell_length_c  5.1052(6)
_cell_angle_alpha  93.418(4)
_cell_angle_beta  100.420(4)
_cell_angle_gamma  74.612(6)
_cell_volume  381.3(2)
_cell_formula_units_Z  1
_exptl_crystal_density_diffrn  1.22
_exptl_crystal_density_meas  1.21(2)
_exptl_crystal_F_000  152
_exptl_absorpt_coefficient_mu  0.081
_diffrn_radiation_type  Mo
_diffrn_radiation_wavelength  0.71069
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
 O1 .1105(3) -.33810(10)
        -.2905(3) .080(2)
 O2 -.1613(2) -.33520(10)
         -.0834(3) .064(2)
 C1 .0450(3) -.2038(2) .0742(4) .047(2)
 C2 -.1620(3) -.1082(2) .0905(4) .050(2)
 C3 -.2509(3) -.0447(2) -.1655(5) .048(2)
 C4 -.2759(3) .0661(2) -.2072(5) .049(2)
 C5 -.2245(3) .1558(2) -.0112(4) .048(2)
 C6 .0060(3) -.2987(2) -.1219(4) .050(2)
 C7 -.2207(4) -.4242(2) -.2601(5) .067(3)
 C8 -.3672(5) -.3735(3) -.5062(6) .072(3)