#------------------------------------------------------------------------------
#$Date: 2008-01-26 13:05:32 +0000 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: svn://www.crystallography.net/cod/cif/2/2000553.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_2000553
_journal_name_full  'Acta Cryst.'
_journal_year  1992
_journal_volume  C48
_journal_page_first  1864
_journal_page_last  1866
loop_
_publ_author_name
 'Ribar, B.'
 'Lazar, D.'
 'Radivojevic, P.'
 'Engel, P.'
 'Gasic, O.'
 'Kanyo, I.'
_chemical_formula_sum  'C22 H27 N1 O4'
_chemical_formula_weight  369.46
_symmetry_cell_setting  monoclinic
_symmetry_space_group_name_H-M  'P 21'
_symmetry_space_group_name_Hall  ?
_cell_length_a  8.732(6)
_cell_length_b  7.639(5)
_cell_length_c  14.966(10)
_cell_angle_alpha  90.
_cell_angle_beta  95.85(2)
_cell_angle_gamma  90.
_cell_volume  993.0(10)
_cell_formula_units_Z  2
_exptl_crystal_density_diffrn  1.235
_exptl_crystal_density_meas  ?
_exptl_crystal_F_000  396
_exptl_absorpt_coefficient_mu  0.079
_diffrn_radiation_type  Mo
_diffrn_radiation_wavelength  0.7107
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
 C1 -.6380(5) -.1679(10) -.3435(3) .0600(10)
 C2 -.6788(5) -.1766(8) -.2565(3) .0480(10)
 C3 -.6324(6) -.3352(9) -.1987(3) .0580(10)
 C4 -.7336(5) -.3507(9) -.1248(3) .0540(10)
 C5 -.8042(5) -.2110(9) .0087(3) .0460(10)
 C6 -.8019(4) -.0427(9) .0616(3) .0410(10)
 C7 -.8269(5) -.0486(9) .1513(3) .0510(10)
 C8 -.8252(5) .1053(10) .2019(3) .0520(10)
 C9 -.7996(5) .2627(9) .1619(3) .0530(10)
 C10 -.7765(5) .2660(9) .0715(3) .0480(10)
 C11 -.7763(4) .1176(8) .0211(3) .0400(10)
 C12 -.7486(4) .1260(9) -.0778(3) .0420(10)
 C13 -.8027(4) -.0417(9) -.1269(2) .0400(10)
 C14 -.7627(4) -.0440(9) -.2230(3) .0470(10)
 C15 -.8150(5) .0947(9) -.2793(3) .0510(10)
 C16 -.7751(6) .1031(10) -.3672(3) .0580(10)
 C17 -.6845(6) -.0253(9) -.3999(3) .0600(10)
 C18 -.5486(8) -.1286(15) -.5189(4) .093(2)
 C19 -.9157(10) .3667(12) -.4007(4) .096(2)
 C20 -.5786(4) .1651(9) -.0869(3) .0520(10)
 C21 -.8565(8) .2383(11) .3433(3) .0760(10)
 C22 -.7352(9) -.2684(10) .2546(4) .082(2)
 N -.7316(4) -.1891(8) -.0731(2) .0430(10)
 O1 -.6501(5) -.0050 -.4857(3) .0810(10)
 O2 -.8185(6) .2344(9) -.4266(2) .0820(10)
 O3 -.8523(5) .0846(8) .2904(2) .0720(10)
 O4 -.8590(5) -.2073(8) .1899(2) .0660(10)
 H1 -.5680(10)
    -.2700(10)
       -.369 .050(10)
 H31 -.5150(10)
     -.3180(10)
        -.170 .060(10)
 H32 -.6410(10)
     -.4520(10)
        -.240 .07(2)
 H41 -.8500(10)
     -.3770(10)
        -.154 .060(10)
 H42 -.6940(10)
     -.4570(10)
        -.080 .040(10)
 H51 -.7430(10)
     -.3100(10)
        .050 .050(10)
 H52 -.9220(10)
     -.2520(10)
        -.008 .060(10)
 H9 -.7980(10)
    .3820(10)
      .201 .060(10)
 H10 -.7560(10)
     .3900(10)
       .040 .050(10)
 H12 -.814 .2320(10)
       -.110 .020(10)
 H13 -.926 -.0530(10)
        -.131 .030(10)
 H15 -.8870(10)
     .1950(10)
       -.255 .060(10)
 H181 -.5320(10)
      -.096(2) -.588 .09(2)
 H182 -.4400(10)
      -.123(2) -.478 .18(3)
 H183 -.5950(10)
      -.259(2) -.516 .08(2)
 H191 -.9390(10)
      .4590(10)
        -.455 .10(2)
 H192 -1.0220(10)
       .3090(10)
         -.385 .12(3)
 H193 -.8610(10)
      .4340(10)
        -.343 .16(3)
 H201 -.559 .1720(10)
        -.157 .08(2)
 H202 -.548 .2890(10)
        -.055 .09(2)
 H203 -.509 .0620(10)
        -.055 .11(3)
 H211 -.8780(10)
      .2040(10)
        .411 .19(3)
 H212 -.7480(10)
      .3060(10)
        .345 .050(10)
 H213 -.9480(10)
      .3230(10)
        .314 .15(3)
 H221 -.7670(10)
      -.3930(10)
         .282 .20(3)
 H222 -.6320(10)
      -.2840(10)
         .222 .24(3)
 H223 -.7150(10)
      -.1750(10)
         .309 .14(3)