data_2000764
_journal_name_full  'Acta Cryst.'
_journal_year  1992
_journal_volume  C48
_journal_page_first  1269
_journal_page_last  1272
loop_
_publ_author_name
 'Luss, H.R.'
 'Texter, J.'
_chemical_formula_sum  'C29 H37 N1 O3'
_chemical_formula_weight  447.62
_symmetry_cell_setting  monoclinic
_symmetry_space_group_name_H-M  'P 1 21/n 1'
_symmetry_space_group_name_Hall  '-P 2yn'
_cell_length_a  13.391(2)
_cell_length_b  28.817(3)
_cell_length_c  6.667(2)
_cell_angle_alpha  90.
_cell_angle_beta  97.256(17)
_cell_angle_gamma  90.
_cell_volume  2552(2)
_cell_formula_units_Z  4
_exptl_crystal_density_diffrn  1.165
_exptl_crystal_density_meas  ?
_exptl_crystal_F_000  968
_exptl_absorpt_coefficient_mu  0.069
_diffrn_radiation_type  Mo
_diffrn_radiation_wavelength  0.71073
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
 O(1) .1812(3) .18810(10)
         -.3012(5)
 O(2) .0708(2) .14670(10)
         -.0790(5)
 O(3) .1115(2) .04720(10)
         .4252(5)
 N .1213(3) .13580(10)
      .2503(6)
 C(1) .2531(4) .1887(2) -.1401(7)
 C(2) .3467(4) .2104(2) -.1665(7)
 C(3) .3617(4) .2336(2) -.3465(8)
 C(4) .4515(5) .2543(2) -.3655(9)
 C(5) .5304(4) .2527(2) -.2070(10)
 C(6) .5174(4) .2307(2) -.0327(9)
 C(7) .4260(4) .2092(2) -.0063(7)
 C(8) .4096(4) .1874(2) .1768(8)
 C(9) .3202(4) .1688(2) .2009(8)
 C(10) .2382(3) .1691(2) .0424(7)
 C(11) .1382(3) .1498(2) .0666(7)
 C(12) .0282(3) .1144(2) .2918(7)
 C(13) .0329(3) .0626(2) .2757(7)
 C(14) .1421(3) .0015(2) .4231(6)
 C(15) .2268(3) -.0111(2) .5596(6)
 C(16) .2573(3) -.0573(2) .5532(7)
 C(17) .2100(3) -.0907(2) .4222(7)
 C(18) .1267(3) -.0767(2) .2946(7)
 C(19) .0931(3) -.0312(2) .2964(7)
 C(20) .2833(3) .0237(2) .7093(7)
 C(21) .3232(4) .0653(2) .5966(8)
 C(22) .3903(5) .0525(2) .4410(10)
 C(23) .2106(4) .0425(2) .8534(8)
 C(24) .3718(4) .0013(2) .8431(8)
 C(25) .2530(4) -.1397(2) .4197(8)
 C(27) .3876(6) -.1140(3) .1970(10)
 C(26A) .3672(6) -.1384(3) .3930(10)
 C(28A) .1970(7) -.1713(3) .2620(10)
 C(29A) .2528(6) -.1622(3) .6410(10)
 C(26B) .297(2) -.1438(9) .196(4)
 C(28B) .1600(10)
       -.1760(6) .368(3)
 C(29B) .320(2) -.1546(8) .588(3)
 H(N) .171(3) .1410(10)
       .354(6)
 H(1) .124(4) .172(2) -.248(8)