data_2000555
_journal_name_full  'Acta Cryst.'
_journal_year  1992
_journal_volume  C48
_journal_page_first  1868
_journal_page_last  1870
loop_
_publ_author_name
 'Toscano, R.A.'
 'Rubio, M.'
 'Cetina, R.'
 'Perez-Ibarra, B.M.'
_chemical_formula_sum  'C19 H17 N3 O4'
_chemical_formula_weight  351.4
_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  22.704(5)
_cell_length_b  10.330(2)
_cell_length_c  14.808(3)
_cell_angle_alpha  90.
_cell_angle_beta  105.79(3)
_cell_angle_gamma  90.
_cell_volume  3341.9(6)
_cell_formula_units_Z  8
_exptl_crystal_density_diffrn  1.40
_exptl_crystal_density_meas  ?
_exptl_crystal_F_000  1472
_exptl_absorpt_coefficient_mu  0.80
_diffrn_radiation_type  Cu
_diffrn_radiation_wavelength  1.54178
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
 C(1) .30250(10)
      .2504(2) .91310(10)
         .0380(10)
 N(2) .32400(10)
      .37710(10)
         .89390(10)
         .0400(10)
 C(3) .27790(10)
      .4778(2) .88580(10)
         .0460(10)
 C(4) .21440(10)
      .4388(2) .83310(10)
         .0410(10)
 O(1) .17540(10)
      .52380(10)
         .81060(10)
         .0550(10)
 N(5) .20200(10)
      .31220(10)
         .81380(10)
         .0420(10)
 C(6) .14130(10)
      .2726(2) .7590(2) .0530(10)
 C(7) .11570(10)
      .1733(2) .8131(2) .0600(10)
 C(7a) .16000(10)
       .0638(2) .84420(10)
          .0450(10)
 C(8) .13970(10)
      -.0578(2) .86320(10)
          .0580(10)
 C(9) .17870(10)
      -.1612(2) .88770(10)
          .0570(10)
 C(10) .23980(10)
       -.1443(2) .89300(10)
           .0510(10)
 C(11) .26100(10)
       -.0256(2) .87480(10)
           .0440(10)
 C(11a) .22190(10)
     .0806(2) .85180(10)
           .0390(10)
 C(11b) .24860(10)
     .2103(2) .83260(10)
           .0370(10)
 C(12) .38240(10)
       .4115(2) .89990(10)
          .0430(10)
 O(2) .39770(10)
      .52550(10)
         .90030(10)
         .0610(10)
 C(13) .42820(10)
       .3063(2) .90390(10)
          .0410(10)
 C(14) .41790(10)
       .2071(2) .83810(10)
          .0450(10)
 C(15) .46120(10)
       .1125(2) .84280(10)
          .0500(10)
 C(16) .51480(10)
       .1184(2) .91390(10)
          .0500(10)
 N(1) .56010(10)
      .0133(2) .9222(2) .0690(10)
 O(3) .54630(10)
      -.0746(2) .8666(2) .0990(10)
 O(4) .60650(10)
      .0185(2) .9834(2) .1160(10)
 C(17) .52690(10)
       .2174(2) .9789(2) .0590(10)
 C(18) .48300(10)
       .3121(2) .97280(10)
          .0540(10)
 H(1a) .3350 .1885 .9200 .060
 H(1b) .2901 .2540 .9700 .060
 H(3a) .2773 .5030 .9479 .060
 H(3b) .2895 .5506 .8542 .060
 H(6a) .1147 .3467 .7466 .060
 H(6b) .1438 .2356 .7008 .060
 H(7a) .0780 .1399 .7736 .060
 H(7b) .1082 .2138 .8673 .060
 H(8) .0971 -.0696 .8591 .060
 H(9) .1637 -.2440 .9009 .060
 H(10) .2676 -.2160 .9095 .060
 H(11) .3036 -.0154 .8780 .060
 H(11b) .2628 .1986 .7778 .060
 H(14) .3802 .2045 .7890 .060
 H(15) .4543 .0438 .7974 .060
 H(17) .5648 .2203 1.0273 .060
 H(18) .4908 .3826 1.0167 .060