#------------------------------------------------------------------------------
#$Date: 2008-11-20 19:58:43 +0000 (Thu, 20 Nov 2008) $
#$Revision: 481 $
#$URL: svn://www.crystallography.net/cod/cif/2/2000395.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_2000395
_journal_name_full 'Acta Crystallographica Section C'
_journal_year  1992
_journal_volume 48
_journal_page_first  2238
_journal_page_last  2240
loop_
_publ_author_name
 'Anulewicz, R.'
 'Wozniak, K.'
 'Soroka, J.A.'
_chemical_formula_moiety  'C37 H28 N1,Cl1 O4'
_chemical_formula_sum  'C37 H28 Cl1 N1 O4'
_chemical_formula_weight  586.09
_symmetry_cell_setting  triclinic
_symmetry_space_group_name_H-M  'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_cell_length_a  11.738(8)
_cell_length_b  12.879(10)
_cell_length_c  11.027(5)
_cell_angle_alpha  111.89(5)
_cell_angle_beta  110.28(10)
_cell_angle_gamma  91.19(7)
_cell_volume  1429.3
_cell_formula_units_Z  2
_exptl_crystal_density_diffrn  1.361
_exptl_crystal_density_meas  ?
_exptl_crystal_F_000  612
_exptl_absorpt_coefficient_mu  0.135
_diffrn_radiation_type  Mo
_diffrn_radiation_wavelength  0.710690
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
 N(1) .33670(10)
      .33760(10)
         .3594(2)
 C(2) .3424(2) .2323(2) .2664(2)
 C(3) .4290(2) .1729(2) .3156(2)
 C(4) .5035(2) .2093(2) .4587(2)
 C(5) .4827(2) .3085(2) .5503(2)
 C(6) .4009(2) .3717(2) .5031(2)
 C(7) .3666(2) .4742(2) .5954(2)
 C(8) .2269(2) .4713(2) .5305(2)
 C(9) .2057(2) .4800(2) .3916(2)
 C(10) .2693(2) .41750(10)
       .3124(2)
 C(11) .2801(2) .43910(10)
       .1990(2)
 C(12) .3569(2) .3984(2) .1231(2)
 C(13) .3601(2) .4380(2) .0246(3)
 C(14) .2872(2) .5163(2) -.0091(3)
 C(15) .2118(2) .5573(2) .0615(2)
 C(16) .2104(2) .5194(2) .1656(2)
 C(17) .1374(2) .5773(2) .2384(2)
 C(18) .1364(2) .5589(2) .3512(3)
 C(19) .1253(3) .6419(2) .0540(3)
 C(20) .0785(3) .6571(2) .1731(3)
 C(21) .2468(2) .18020(10)
       .1204(2)
 C(22) .2799(2) .1192(2) .0083(2)
 C(23) .1896(3) .0638(2) -.1249(3)
 C(24) .0672(3) .0660(2) -.1476(3)
 C(25) .0338(2) .1245(2) -.0361(3)
 C(26) .1233(2) .1816(2) .0974(3)
 C(41) .5901(2) .1381(2) .5076(3)
 C(42) .6371(3) .0643(3) .4174(4)
 C(43) .7111(3) -.0090(3) .4583(4)
 C(44) .7390(3) -.0077(3) .5893(4)
 C(45) .6960(3) .0667(3) .6821(4)
 C(46) .6218(2) .1399(2) .6426(3)
 C(81) .1480(2) .3686(2) .5185(2)
 C(82) .1839(3) .3274(2) .6228(3)
 C(83) .1089(3) .2375(2) .6140(4)
 C(84) -.0004(3) .1878(2) .5014(4)
 C(85) -.0382(3) .2278(2) .3965(3)
 C(86) .0359(2) .3179(2) .4057(2)
 Cl .64120(10)
    .20630(10)
       .07580(10)
 O(1) .7551(4) .1975(7) .0695(7)
 O(2) .6147(8) .1871(13) .1751(10)
 O(3) .6329(11) .3070(5) .1565(9)
 O(4) .5550(8) .1921(13) -.0545(7)
 O(5) .7503(12) .3012(10) .1621(9)
 O(6) .5613(11) .2638(13) .015(2)
 O(7) .644(3)   .1198(10) -.0265(16)
 O(8) .6121(10) .1259(6) .1160(14)
 H(3) .427(2)   .102(2)   .252(2)
 H(6) .526(2)   .3363(17) .650(2)
 H(701) .392(2)   .4724(17) .685(2)
 H(702) .404(2)   .5456(19) .599(2)
 H(81) .2079(18) .5404(16) .595(2)
 H(12) .411(2)   .3450(18) .139(2)
 H(13) .412(2)   .4084(17) -.028(2)
 H(14) .292(3)   .542(2)   -.076(3)
 H(18) .1000(18) .6014(16) .415(2)
 H(191) .172(2)   .720(2)   .070(2)
 H(192) .056(2)   .6150(19) -.048(3)
 H(201) .100(2)   .737(2)   .244(2)
 H(202) -.010(3)   .637(2)   .143(3)
 H(22) .364(3)   .120(2)   .026(2)
 H(23) .216(3)   .023(2)   -.200(3)
 H(24) .002(2)   .0296(19) -.241(3)
 H(25) -.051(3)   .122(2)   -.046(3)
 H(26) .1016(19) .2171(18) .173(2)
 H(42) .626(2)   .061(2)   .329(3)
 H(43) .736(3)   -.070(3)   .375(3)
 H(44) .782(3)   -.056(3)   .615(3)
 H(45) .708(3)   .070(2)   .768(3)
 H(46) .578(3)   .188(2)   .701(3)
 H(82) .261(2)   .362(2)   .700(3)
 H(83) .134(3)   .212(2)   .687(3)
 H(84) -.045(2)   .128(2)   .497(3)
 H(85) -.119(3)   .190(2)   .312(3)
 H(86) .008(2)   .3513(17) .333(2)