#------------------------------------------------------------------------------
#$Date: 2008-01-13 22:15:36 +0000 (Sun, 13 Jan 2008) $
#$Revision: 14 $
#$URL: svn://www.crystallography.net/cod/cif/2/2002054.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_2002054
_journal_name_full 'Acta Crystallographica, Section C'
_journal_year 1993
_journal_volume C49
_journal_page_first 72
_journal_page_last 75
loop_
_publ_author_name
'Guelzim, A.'
'Khrifi, S.'
'Baert, F.'
'Vicens, J.'
'Loeber, C.'
'Asfari, Z.'
'Matt, D.'
_chemical_formula_moiety ?
_chemical_formula_sum 'C50 H62 N2 O4'
_chemical_formula_weight 755.1
_symmetry_cell_setting monoclinic
_symmetry_space_group_name_H-M 'C 1 2/c 1'
_symmetry_space_group_name_Hall '-C 2yc'
_cell_length_a 14.6590(10)
_cell_length_b 16.5910(10)
_cell_length_c 37.558(5)
_cell_angle_alpha  90
_cell_angle_beta 90.380(10)
_cell_angle_gamma  90
_cell_volume 9134.19
_cell_formula_units_Z 8
_exptl_crystal_density_diffrn 1.098
_exptl_crystal_density_meas ?
_exptl_crystal_F_000 3264
_exptl_absorpt_coefficient_mu 0.037
_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
C(1) .3255(3) .0621(2) .10220(10)
.036(5)
C(2) .3583(3) -.0021(2) .08260(10)
 .041(5)
C(3) .3633(3) .0069(3) .04530(10)
.046(6)
C(4) .3352(3) .0770(3) .02840(10)
.043(6)
C(5) .3032(3) .1402(3) .04940(10)
.042(5)
C(6) .2968(3) .1336(2) .08630(10)
.038(5)
C(7) .3366(3) .0870(3) -.01250(10)
 .052(6)
C(8) .3673(4) .0098(4) -.03130(10)
 .074(8)
C(9) .2398(4) .1085(4) -.02550(10)
 .072(8)
C(10) .4023(4) .1558(4) -.02220(10)
  .075(8)
O(1) .3096(2) .0529(2) .13880(10)
.048(4)
C(11) .3868(4) .0587(3) .16170(10)
 .055(7)
C(12) .4140(3) .1419(3) .17010(10)
 .053(6)
N(1) .4397(3) .2037(3) .17830(10)
.068(7)
C(13) .3840(3) -.0822(3) .09940(10)
  .050(5)
C(14) .3004(3) -.1270(2) .11340(10)
  .044(5)
C(15) .2346(3) -.1546(3) .08930(10)
  .045(5)
C(16) .1564(3) -.1942(3) .10080(10)
  .042(6)
C(17) .1420(3) -.2006(2) .13750(10)
  .042(5)
C(18) .2064(3) -.1733(2) .16190(10)
  .038(5)
C(19) .2871(3) -.1407(2) .14960(10)
  .038(5)
C(20) .0863(3) -.2296(3) .07440(10)
  .054(7)
C(21) .1194(6) -.2304(8) .0376(2) .107(17)
C(22) .0668(5) -.3175(5) .0845(2) .082(13)
C(23) -.0040(6) -.1881(6) .0789(3) .10(2)
O(2) .3549(2) -.1189(2) .17420(10)
 .045(4)
C(24) .4196(4) -.1824(3) .1804(2) .077(8)
C(25) .1858(3) -.1756(2) .20180(10)
  .043(5)
C(26) .1787(3) -.0916(2) .21770(10)
  .040(5)
C(27) .2425(3) -.0658(3) .24330(10)
  .040(5)
C(28) .2416(3) .0109(2) .25730(10)
 .037(5)
C(29) .1744(3) .0640(2) .24500(10)
 .038(5)
C(30) .1091(3) .0411(2) .22000(10)
 .036(5)
C(31) .1113(3) -.0375(3) .20740(10)
  .036(5)
C(32) .3148(3) .0423(3) .28370(10)
 .042(6)
C(33) .2698(4) .0856(4) .31520(10)
 .067(9)
C(34) .3752(4) -.0246(4) .2975(2) .074(11)
C(35) .3738(4) .1048(4) .2640(2) .067(9)
O(3) .0470(3) -.0607(2) .18160(10)
 .038(3)
C(36) -.0335(3) -.0940(3) .19690(10)
   .048(6)
C(37) -.1018(4) -.1001(3) .1685(2) .061(8)
N(2) -.1571(3) -.1048(3) .1470(2) .083(9)
C(38) .0413(3) .1028(3) .20560(10)
 .044(5)
C(39) .0582(3) .1250(2) .16680(10)
 .040(5)
C(40) -.0075(3) .1100(2) .14060(10)
  .041(5)
C(41) .0058(3) .1287(3) .10510(10)
 .042(5)
C(42) .0912(3) .1590(2) .09540(10)
 .045(5)
C(43) .1595(3) .1742(2) .12050(10)
 .039(5)
C(44) .1410(3) .1587(2) .15600(10)
 .036(5)
C(45) -.0669(3) .1144(3) .07620(10)
  .048(6)
C(46) -.0297(5) .0586(5) .0472(2) .087(13)
C(47) -.1537(4) .0792(6) .0912(2) .105(14)
C(48) -.0903(4) .1959(4) .0593(2) .085(10)
O(4) .2073(2) .1746(2) .18190(10)
.038(3)
C(49) .2050(4) .2563(3) .19470(10)
 .053(7)
C(50) .2533(3) .2001(2) .10770(10)
 .044(5)
H(C3) .3898 -.0420 .0295 ?
H(C5) .2828 .1957 .0367 ?
H(C8) .4351 -.0060 -.0224 ?
H'(C8) .3674 .0194 -.0597 ?
H"(C8) .3208 -.0385 -.0250 ?
H(C9) .2173 .1629 -.0124 ?
H'(C9) .1938 .0598 -.0192 ?
H"(C9) .2404 .1178 -.0539 ?
H(C10) .3811 .2105 -.0091 ?
H'(C10) .4010 .1648 -.0507 ?
H"(C10) .4705 .1402 -.0137 ?
H(C11) .3711 .0282 .1863 ?
H'(C11) .4435 .0290 .1490 ?
H(C13) .4171 -.1192 .0797 ?
H'(C13) .4304 -.0713 .1213 ?
H(C15) .2444 -.1451 .0612 ?
H(C17) .0795 -.2272 .1470 ?
H(C21) .1339 -.1694 .0292 ?
H'(C21) .0676 -.2559 .0203 ?
H"(C21) .1807 -.2661 .0361 ?
H(C22) .1286 -.3526 .0820 ?
H'(C22) .0151 -.3418 .0670 ?
H"(C22) .0434 -.3201 .1117 ?
H(C23) .0028 -.1250 .0723 ?
H'(C23) -.0258 -.1937 .1062 ?
H"(C23) -.0542 -.2154 .0615 ?
H(C24) .4701 -.1626 .1994 ?
H'(C24) .4524 -.1979 .1557 ?
H"(C24) .3845 -.2346 .1906 ?
H(C25) .2397 -.2080 .2153 ?
H'(C25) .1218 -.2066 .2057 ?
H(C27) .2941 -.1076 .2523 ?
H(29) .1731 .1247 .2553 ?
H(C33) .2277 .0434 .3296 ?
H'(C33) .2279 .1344 .3054 ?
H"(C33) .3219 .1092 .3328 ?
H(C34) .4068 -.0549 .2754 ?
H'(C34) .3346 -.0671 .3124 ?
H"(C34) .4273 .0004 .3147 ?
H(C35) .4066 .0763 .2417 ?
H'(C35) .4251 .1283 .2820 ?
H"(C35) .3311 .1535 .2547 ?
H(C36) -.0191 -.1529 .2077 ?
H'(C36) -.0580 -.0550 .2178 ?
H(C38) -.0266 .0780 .2077 ?
H'(C38) .0462 .1568 .2215 ?
H(C40) -.0712 .0827 .1483 ?
H(C43) -.0127 .0009 .0587 ?
H'(C43) .0307 .0851 .0358 ?
H"(C43) -.0808 .0507 .0267 ?
H(C44) -.1392 .0216 .1033 ?
H'(C44) -.2030 .0712 .0700 ?
H"(C44) -.1812 .1196 .1110 ?
H(C45) .1046 .1710 .0676 ?
H(C48) -.0294 .2224 .0484 ?
H'(C48) -.1181 .2355 .0793 ?
H"(C48) -.1400 .1872 .0383 ?
H(C49) .2577 .2646 .2146 ?
H'(C49) .1392 .2684 .2063 ?
H"(C49) .2164 .2972 .1728 ?
H(C50) .2960 .2138 .1304 ?
H'(C50) .2464 .2532 .0912 ?