#------------------------------------------------------------------------------
#$Date: 2008-11-20 19:58:43 +0000 (Thu, 20 Nov 2008) $
#$Revision: 481 $
#$URL: svn://www.crystallography.net/cod/cif/2/2001988.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_2001988
_journal_name_full 'Acta Crystallographica Section C'
_journal_year 1993
_journal_volume 49
_journal_page_first 347
_journal_page_last 350
loop_
_publ_author_name
'White, J.M.'
'Robertson, G.B.'
_chemical_formula_moiety ?
_chemical_formula_sum 'C17 H23 N1 O4'
_chemical_formula_weight 305.4
_symmetry_cell_setting triclinic
_symmetry_space_group_name_H-M 'P -1'
_symmetry_space_group_name_Hall ?
_cell_length_a 5.9963(7)
_cell_length_b 15.511(4)
_cell_length_c 17.244(4)
_cell_angle_alpha 83.15(2)
_cell_angle_beta 89.730(10)
_cell_angle_gamma 87.94(2)
_cell_volume 1591.4
_cell_formula_units_Z 4
_exptl_crystal_density_diffrn 1.27
_exptl_crystal_density_meas ?
_exptl_crystal_F_000 676
_exptl_absorpt_coefficient_mu 0.635
_diffrn_radiation_type Cu
_diffrn_radiation_wavelength 1.5418
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
O(1) .3528(2) .32298(6) .37789(5) .0223(5)
O(2) .0692(2) .38145(6) .44266(6) .0257(6)
O(3) .6691(2) .75577(6) .42433(6) .0316(6)
O(4) .9262(2) .69736(7) .35637(6) .0324(6)
N(1) .7463(2) .69582(7) .39084(6) .0234(7)
C(1) .2590(2) .23664(8) .39074(8) .0200(7)
C(2) .4574(2) .17312(9) .39353(8) .0233(8)
C(3) .3805(2) .07955(9) .40144(8) .0232(8)
C(4) .2228(2) .06411(8) .33486(7) .0198(7)
C(5) .0248(2) .12988(8) .33354(8) .0223(8)
C(6) .0997(2) .22410(9) .32550(8) .0229(8)
C(7) .1546(2) -.03204(8) .33690(8) .0231(8)
C(8) .0397(3) -.06530(10)
.41329(9) .0338(9)
C(9) -.0028(3) -.04160(10)
 .26880(10)
  .0340(10)
C(10) .3622(3) -.09000(10)
 .32630(10)
  .0390(10)
C(11) .2468(2) .38761(8) .40931(7) .0186(7)
C(12) .3766(2) .46882(8) .39974(7) .0179(7)
C(13) .5850(2) .47194(9) .36322(7) .0205(7)
C(14) .7054(2) .54666(9) .35938(7) .0217(7)
C(15) .6150(2) .61700(8) .39286(7) .0196(7)
C(16) .4073(2) .61626(9) .42820(7) .0208(7)
C(17) .2883(2) .54100(8) .43130(7) .0194(7)
O(1') .05540(10)
   .37914(6) .12708(5) .0209(5)
O(2') -.2791(2) .39450(6) .18505(6) .0301(6)
O(3') -.1721(2) -.03739(7) .06634(7) .0429(7)
O(4') -.5191(2) -.01298(8) .09477(8) .0514(8)
N(1') -.3243(2) .00877(8) .08755(7) .0330(8)
C(1') .0914(2) .47205(8) .12823(7) .0195(7)
C(2') .2529(2) .49814(8) .06274(8) .0214(7)
C(3') .2880(2) .59560(8) .05778(7) .0211(7)
C(4') .3809(2) .62064(8) .13486(7) .0184(7)
C(5') .2234(2) .58847(8) .20201(7) .0201(7)
C(6') .1834(2) .49071(8) .20588(7) .0198(7)
C(7') .4338(2) .71850(8) .13085(7) .0209(7)
C(8') .5866(3) .74390(10)
.06087(8) .0292(9)
C(9') .5602(3) .73430(9) .20465(8) .0268(8)
C(10') .2222(3) .77766(9) .12380(9) .0291(9)
C(11') -.1430(2) .35124(8) .15359(7) .0206(7)
C(12') -.1794(2) .26009(8) .13769(7) .0192(7)
C(13') -.0214(2) .21178(9) .10046(8) .0225(8)
C(14') -.0656(2) .12854(9) .08454(8) .0251(8)
C(15') -.2722(2) .09661(8) .10564(7) .0235(8)
C(16') -.4331(2) .14293(9) .14254(8) .0252(8)
C(17') -.3855(2) .22540(9) .15895(8) .0237(8)
H(1) .183(2) .2321(9) .4417(8) ?
H(2A) .546(3) .1860(10)
  .3436(9) ?
H(2B) .558(3) .1820(10)
  .4361(9) ?
H(3A) .516(3) .0400(10)
  .4015(8) ?
H(3B) .306(3) .0680(10)
  .4528(9) ?
H(4) .309(2) .0790(9) .2830(8) ?
H(5A) -.074(3) .1230(10)
   .2895(9) ?
H(5B) -.061(3) .1190(10)
   .3840(9) ?
H(6A) -.035(3) .2660(10)
   .3270(9) ?
H(6B) .181(3) .2350(10)
  .2739(9) ?
H(8A) .140(3) -.0660(10)
   .4570(10)
   ?
H(8B) -.010(3) -.1270(10)
.4100(10)
?
H(8C) -.101(3) -.0280(10)
.4230(10)
?
H(9A) -.157(3) -.0110(10)
.2760(10)
?
H(9B) -.033(3) -.1050(10)
.2670(10)
?
H(9C) .063(3) -.0190(10)
   .2190(10)
   ?
H(10A) .470(4) -.0900(10)
.3700(10)
?
H(10B) .443(4) -.0700(10)
.2730(10)
?
H(10C) .319(3) -.1520(10)
.3250(10)
?
H(13) .645(3) .4200(10)
  .3408(9) ?
H(14) .850(3) .5510(10)
  .3351(9) ?
H(16) .349(3) .6680(10)
  .4494(8) ?
H(17) .144(3) .5380(10)
  .4559(9) ?
H(1') -.060(2) .4997(9) .1174(8) ?
H(2A') .395(3) .4650(10)
   .0747(9) ?
H(2B') .197(2) .4817(9) .0109(9) ?
H(3A') .393(3) .6123(9) .0136(9) ?
H(3B') .139(3) .6260(10)
   .0435(9) ?
H(4') .531(3) .5881(9) .1451(8) ?
H(5A') .071(3) .6210(10)
   .1954(9) ?
H(5B') .287(3) .6000(10)
   .2532(9) ?
H(6A') .075(3) .4734(9) .2481(8) ?
H(6B') .324(3) .4580(10)
   .2175(8) ?
H(8A') .504(3) .7460(10)
   .0100(10)
   ?
H(8B') .718(3) .7010(10)
   .0590(10)
   ?
H(8C') .644(3) .8020(10)
   .0610(10)
   ?
H(9A') .466(3) .7240(10)
   .2528(9) ?
H(9B') .609(3) .7970(10)
   .2007(9) ?
H(9C') .696(3) .6940(10)
   .2121(9) ?
H(10D) .126(3) .7670(10)
   .0770(10)
   ?
H(10E) .264(3) .8420(10)
   .1160(10)
   ?
H(10F) .119(3) .7670(10)
   .1730(10)
   ?
H(13') .118(3) .2370(10)
   .0846(9) ?
H(14') .039(3) .0940(10)
   .0580(10)
   ?
H(16') -.576(3) .1200(10)
.1562(9) ?
H(17') -.491(3) .2590(10)
.1860(10)
?