data_2000457
_journal_name_full  'Acta Cryst.'
_journal_year  1992
_journal_volume  C48
_journal_page_first  2013
_journal_page_last  2016
loop_
_publ_author_name
 'Carugo, O.'
 'Poli, G.'
 'Manzoni, L.'
_chemical_formula_sum  'C20 H17 N3 O2'
_chemical_formula_weight  330.39
_symmetry_cell_setting  monoclinic
_symmetry_space_group_name_H-M  'P 21/n'
_symmetry_space_group_name_Hall  ?
_cell_length_a  12.6190(10)
_cell_length_b  8.2850(10)
_cell_length_c  16.4690(10)
_cell_angle_alpha  90.
_cell_angle_beta  94.39(6)
_cell_angle_gamma  90.
_cell_volume  1716.7(3)
_cell_formula_units_Z  4
_exptl_crystal_density_diffrn  1.278
_exptl_crystal_density_meas  ?
_exptl_crystal_F_000  174
_exptl_absorpt_coefficient_mu  0.6284
_diffrn_radiation_type  Cu
_diffrn_radiation_wavelength  1.54184
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
 O1 .97996(7) -.01280(10)
         .13144(6)
 O2 .86787(7) .25470(10)
        .31462(6)
 N1 .81177(8) -.10760(10)
         .10740(7)
 N2 1.01588(8) .1747(2) .25610(7)
 N3 .84596(8) .09790(10)
        .20114(7)
 C1 .73460(10)
    .1416(2) .19502(8)
 C2 .66840(10)
    .0958(2) .25329(9)
 C3 .56200(10)
    .1423(2) .24520(10)
 C4 .52430(10)
    .2333(3) .17960(10)
 C5 .5903(2) .2793(3) .12230(10)
 C6 .69680(10)
    .2347(2) .12940(10)
 C7 .88615(9) -.0098(2) .14455(8)
 C8 .82860(10)
    -.2224(2) .04542(8)
 C9 .74270(10)
    -.3188(2) .02010(10)
 C10 .7519(2) -.4310(2) -.04160(10)
 C11 .8451(2) -.4462(2) -.07850(10)
 C12 .9297(2) -.3514(2) -.05330(10)
 C13 .92290(10)
     -.2395(2) .00830(10)
 C14 .91070(10)
     .1820(2) .26218(8)
 C15 1.09590(10)
      .2559(2) .30564(8)
 C16 1.19650(10)
      .2562(2) .27750(9)
 C17 1.27940(10)
      .3339(2) .32160(10)
 C18 1.26330(10)
      .4118(2) .39280(10)
 C19 1.16360(10)
      .4104(2) .42080(10)
 C20 1.07930(10)
      .3323(2) .37802(9)
 HC2 .6970(10)
    .033(2) .2989(8)
 HC3 .5160(10)
    .104(2) .2920(10)
 HC4 .4450(10)
    .261(2) .1770(10)
 HC5 .563(2) .347(3) .0760(10)
 HC6 .7470(10)
    .267(2) .0892(8)
 HC9 .6760(10)
    -.302(2) .0434(9)
 HC10 .6900(10)
     -.494(2) -.0560(10)
 HC11 .8510(10)
     -.524(2) -.1270(10)
 HC12 1.002(2) -.366(3) -.0830(10)
 HC13 .9820(10)
     -.170(2) .0268(9)
 HC16 1.2120(10)
      .201(2) .2254(9)
 HC17 1.3520(10)
      .330(2) .2980(10)
 HC18 1.3230(10)
      .470(2) .4230(10)
 HC19 1.1520(10)
      .467(2) .4728(9)
 HC20 1.0130(10)
      .333(2) .3961(9)
 HN2 1.0330(10)
     .124(2) .2088(9)
 HN1 .7470(10)
    -.117(2) .1353(9)