#------------------------------------------------------------------------------
#$Date: 2008-11-20 19:58:43 +0000 (Thu, 20 Nov 2008) $
#$Revision: 481 $
#$URL: svn://www.crystallography.net/cod/cif/2/2000791.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_2000791
_journal_name_full 'Acta Crystallographica Section C'
_journal_year  1992
_journal_volume 48
_journal_page_first  1329
_journal_page_last  1331
loop_
_publ_author_name
 'Theobald, F.'
 'Rodier, N.'
 'Moustaid, K.'
 'Nguyen Din An'
 'Laude, B.'
_chemical_formula_sum  'C30 H33 N3 O5'
_chemical_formula_weight  515.6
_symmetry_cell_setting  triclinic
_symmetry_space_group_name_H-M  'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_cell_length_a  10.936(2)
_cell_length_b  8.8460(10)
_cell_length_c  14.600(3)
_cell_angle_alpha  89.08(2)
_cell_angle_beta  105.16(2)
_cell_angle_gamma  100.12(2)
_cell_volume  1341.3(9)
_cell_formula_units_Z  2
_exptl_crystal_density_diffrn  1.277
_exptl_crystal_density_meas  1.280(10)
_exptl_crystal_F_000  548
_exptl_absorpt_coefficient_mu  0.67
_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
 C(1) .6971(2) .1768(2) .26300(10)
 N(2) .79950(10)
      .2597(2) .31560(10)
 N(3) .89370(10)
      .2856(2) .26684(9)
 N(4) .88160(10)
      .2997(2) .09970(10)
 C(3A) .8561(2) .2007(2) .17560(10)
 C(5) .8025(2) .2244(2) .00790(10)
 C(5A) .6623(2) .2298(2) .00030(10)
 C(6) .5808(2) .2827(2) -.07860(10)
 C(7) .4544(2) .2876(2) -.08160(10)
 C(8) .4078(2) .2393(2) -.00390(10)
 C(9) .4899(2) .1926(2) .07660(10)
 C(9A) .6177(2) .1879(2) .07960(10)
 C(9B) .7095(2) .1323(2) .16620(10)
 C(11) .5857(2) .1269(2) .30160(10)
 C(12) .5051(2) -.0143(2) .27350(10)
 C(13) .4055(2) -.0666(3) .31330(10)
 C(14) .3811(2) .0216(2) .38150(10)
 C(15) .4584(2) .1627(3) .40990(10)
 C(16) .5605(2) .2137(2) .37040(10)
 O(17) .27950(10)
       -.0404(2) .41610(10)
 C(18) .2478(2) .0480(3) .4848(2)
 C(21) 1.0206(2) .3462(2) .31700(10)
 C(22) 1.1180(2) .3687(3) .27040(10)
 C(23) 1.2416(2) .4389(3) .3192(2)
 C(24) 1.2691(2) .4875(3) .4119(2)
 C(25) 1.1726(2) .4616(3) .4587(2)
 C(26) 1.0491(2) .3909(2) .41230(10)
 C(31) .9322(2) .0671(2) .18310(10)
 O(32) .99400(10)
       .0408(2) .13120(10)
 O(33) .91430(10)
       -.01900(10)
        .25545(9)
 C(34) .9674(2) -.1600(2) .2658(2)
 C(35) .9343(3) -.2369(3) .3484(2)
 C(41) .8591(2) .4572(2) .11070(10)
 C(51) .8534(2) .2903(3) -.07460(10)
 O(71) .36780(10)
       .3344(2) -.15800(9)
 C(72) .4180(2) .4271(3) -.2248(2)
 O(81) .28020(10)
       .2410(2) -.01420(10)
 C(82) .2320(2) .2118(3) .0671(2)
 H(5) .818(2) .116(3) .014(2)
 H(6) .612(2) .322(3) -.134(2)
 H(9) .455(2) .161(3) .135(2)
 H(9B) .695(2) .017(2) .1620(10)
 H(12) .521(2) -.076(3) .227(2)
 H(13) .347(2) -.168(3) .293(2)
 H(15) .442(2) .227(3) .456(2)
 H(16) .615(2) .320(3) .392(3)
 H(18) .328(3) .078(3) .542(2)
 H('18) .214(3) .142(4) .452(2)
 H("18) .179(3) -.026(3) .500(2)
 H(22) 1.097(2) .335(3) .203(2)
 H(23) 1.307(2) .450(3) .286(2)
 H(24) 1.357(3) .540(3) .445(2)
 H(25) 1.188(3) .494(3) .527(2)
 H(26) .979(2) .372(3) .446(2)
 H(34) 1.064(3) -.126(3) .275(2)
 H('34) .925(3) -.220(3) .200(2)
 H(35) .985(3) -.164(4) .412(2)
 H('35) .834(3) -.253(4) .339(2)
 H("35) .969(3) -.333(4) .357(2)
 H(41) .926(2) .512(3) .165(2)
 H('41) .773(2) .460(3) .126(2)
 H("41) .859(2) .509(3) .048(2)
 H(51) .807(3) .232(3) -.132(2)
 H('51) .847(3) .404(3) -.082(2)
 H("51) .943(2) .274(3) -.065(2)
 H(72) .345(3) .465(3) -.268(2)
 H('72) .451(3) .360(3) -.267(2)
 H("72) .486(3) .513(3) -.191(2)
 H(82) .240(3) .106(3) .092(2)
 H('82) .144(3) .211(3) .046(2)
 H("82) .280(3) .297(3) .114(2)