data_2000270
_journal_name_full 'Acta Cryst. C'
_journal_year   1991
_journal_volume  47
_journal_page_first  1680
_journal_page_last  1683
_chemical_formula_sum  'C8 H12 N2 O4'
_symmetry_cell_setting  orthorhombic
_symmetry_space_group_name_h-m  Pccn
_symmetry_space_group_name_hall  ?
_cell_length_a  39.365(2)
_cell_length_b  10.1470(10)
_cell_length_c  9.9370(10)
_cell_angle_alpha  90
_cell_angle_beta  90
_cell_angle_gamma  90
_cell_volume  3968.9
_cell_formula_units_z  16
_exptl_crystal_density_diffrn  1.340
_exptl_crystal_density_meas  ?
_exptl_crystal_F_000  1696
_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
 N(101) .41840(10)
  .7245(2) .1432(2)
 C(102) .40290(10)
  .6304(2) .2193(3)
 O(102) .40800(10)
  .5122(2) .2062(2)
 C(103) .37860(10)
  .6828(3) .3199(3)
 C(104) .35990(10)
  .6058(3) .3953(3)
 C(105) .33530(10)
  .6624(3) .4921(3)
 O(105) .33050(10)
  .7770(2) .5100(3)
 O(106) .31880(10)
  .5681(2) .5589(2)
 C(107) .29490(10)
  .6142(5) .6601(5)
 C(108) .27650(10)
  .4988(5) .7137(4)
 C(109) .2513(2) .5402(9) .8235(6)
 C(110) .44060(10)
  .7081(2) .0324(3)
 O(110) .45070(10)
  .8082(2) -.0264(2)
 N(110) .44870(10)
  .5867(2) -.0005(3)
 N(201) .52790(10)
  .6021(2) -.3900(2)
 C(202) .54810(10)
  .6855(2) -.4624(3)
 O(202) .54780(10)
  .8056(2) -.4493(2)
 C(203) .57030(10)
  .6167(3) -.5597(3)
 C(204) .58830(10)
  .6770(3) -.6506(3)
 C(205) .60880(10)
  .5992(3) -.7459(3)
 O(205) .61010(10)
  .4799(2) -.7459(2)
 O(206) .62600(10)
  .6739(2) -.8321(2)
 C(207) .64440(10)
  .6049(4) -.9369(4)
 C(208) .66870(10)
  .6984(4) -1.0007(4)
 C(209) .6863(2) .6318(6) -1.1182(6)
 C(210) .50430(10)
  .6307(2) -.2888(3)
 O(210) .48850(10)
  .5385(2) -.2400(2)
 N(210) .50070(10)
  .7550(2) -.2529(3)
 H(101) .4134(7) .805(3) .170(3)
 H(103) .3764(7) .778(3) .326(3)
 H(104) .3614(8) .517(3) .387(3)
 H(111) .4412(8) .525(3) .047(3)
 H(112) .4602(9) .580(3) -.077(4)
 H(171) .3075(10) .661(4) .734(4)
 H(172) .2781(11) .676(4) .616(4)
 H(181) .2649(10) .438(4) .634(4)
 H(182) .2946(11) .428(4) .743(4)
 H(191) .2430(16) .453(5) .855(6)
 H(192) .2374(19) .614(7) .786(7)
 H(193) .2665(14) .585(5) .889(5)
 H(201) .5314(8) .521(3) -.411(3)
 H(203) .5685(8) .520(3) -.558(3)
 H(204) .5896(8) .770(3) -.663(3)
 H(211) .5120(8) .818(3) -.290(3)
 H(212) .4888(9) .769(3) -.187(4)
 H(271) .6551(9) .528(3) -.904(3)
 H(272) .6269(9) .568(3) -1.003(4)
 H(281) .6590(10) .782(4) -1.022(4)
 H(282) .6897(9) .737(4) -.939(4)
 H(291) .7051(13) .690(5) -1.152(5)
 H(292) .670(2)   .608(8) -1.201(9)
 H(293) .6988(15) .545(6) -1.082(7)