#------------------------------------------------------------------------------
#$Date: 2008-11-20 19:58:43 +0000 (Thu, 20 Nov 2008) $
#$Revision: 481 $
#$URL: svn://www.crystallography.net/cod/cif/2/2000637.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_2000637
_journal_name_full 'Acta Crystallographica Section C'
_journal_year  1992
_journal_volume 48
_journal_page_first  1705
_journal_page_last  1707
loop_
_publ_author_name
 'Soto, L.'
 'Garcia-Lozano, J.'
 'Martinez, M.'
 'Dahan, F.'
 'Legros, J.-P.'
_chemical_formula_moiety  'C22 H29 N8 O4,F4 P1'
_chemical_formula_sum  'C22 H29 F6 N8 O4 P1'
_chemical_formula_weight  614.5
_symmetry_cell_setting  monoclinic
_symmetry_space_group_name_H-M  'P 21/c'
_symmetry_space_group_name_Hall  ?
_cell_length_a  10.4097(7)
_cell_length_b  22.186(2)
_cell_length_c  12.7420(10)
_cell_angle_alpha  90.
_cell_angle_beta  101.510(10)
_cell_angle_gamma  90.
_cell_volume  2883.6(5)
_cell_formula_units_Z  4
_exptl_crystal_density_diffrn  1.42
_exptl_crystal_density_meas  ?
_exptl_crystal_F_000  1272
_exptl_absorpt_coefficient_mu  0.17
_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
_atom_site_U_iso_or_equiv
 P .37290(10)
      .34001(4) .49083(8) 5.4(2)
 F(1) .4255(2) .40390(10)
         .4652(2) 9.3(5)
 F(2) .2712(3) .37290(10)
         .5468(2) 11.4(6)
 F(3) .2736(3) .34300(10)
         .3799(2) 10.3(6)
 F(4) .3211(3) .27590(10)
         .5146(2) 11.0(6)
 F(5) .4738(3) .30750(10)
         .4337(2) 12.1(7)
 F(6) .4738(3) .33770(10)
         .6007(2) 10.8(6)
 C(33) .4045(5) .7037(2) .8493(4) 9.0(10)
 O(32) .3602(3) .65170(10)
       .8987(2) 6.9(5)
 C(31) .3970(3) .6000(2) .8602(3) 5.0(6)
 N(27) .3583(3) .54600(10)
       .8971(2) 4.9(5)
 N(28) .4030(3) .49920(10)
       .8432(2) 5.0(5)
 C(29) .4685(3) .5247(2) .7765(3) 4.8(6)
 C(30) .4685(3) .5876(2) .7839(3) 5.3(7)
 C(34) .5290(4) .4869(2) .7031(3) 7.0(8)
 C(22) .2831(3) .5323(2) .9741(3) 5.3(7)
 N(23) .2567(3) .5777(2) 1.0332(2) 6.9(7)
 C(24) .1839(4) .5616(3) 1.1035(3) 9.0(10)
 C(25) .1403(5) .5039(3) 1.1125(4) 10.0(10)
 C(26) .1766(4) .4610(2) 1.0505(3) 8.0(10)
 N(21) .2496(3) .4751(2) .9778(2) 6.6(6)
 O(35) .1512(4) .6033(2) 1.1697(3) 12.4(9)
 C(36) .2144(5) .6584(2) 1.1763(4) 11.0(10)
 C(37) .1420(5) .3963(2) 1.0581(4) 12.0(10)
 C(13) -.2715(3) .4366(2) .4949(3) 8.0(9)
 O(12) -.1472(2) .41820(10)
        .5611(2) 6.1(5)
 C(11) -.0744(3) .4640(2) .6060(3) 4.8(6)
 N(7) .0468(2) .45200(10)
         .6721(2) 4.5(5)
 N(8) .1077(3) .50490(10)
         .7115(2) 4.9(5)
 C(9) .0259(3) .5475(2) .6693(3) 5.3(6)
 C(10) -.0891(3) .5242(2) .6037(3) 5.4(7)
 C(14) .0585(4) .6120(2) .6914(3) 7.6(9)
 C(2) .1062(3) .39750(10)
         .7031(2) 4.1(5)
 N(3) .0479(3) .34780(10)
         .6642(2) 5.0(5)
 C(4) .1092(4) .2970(2) .6972(3) 5.7(7)
 C(5) .2270(4) .2945(2) .7697(3) 6.3(7)
 C(6) .2842(3) .3471(2) .8062(3) 5.3(6)
 N(1) .2214(2) .39930(10)
         .7717(2) 4.4(5)
 O(15) .0548(3) .24500(10)
       .6596(2) 8.3(6)
 C(16) -.0606(5) .2479(2) .5773(4) 11.0(10)
 C(17) .4124(4) .3522(2) .8824(3) 7.6(8)
 HN1 .260 .438 .797 .069
 HC331 .375 .740 .880 .130
 HC332 .369 .703 .773 .130
 HC333 .500 .703 .861 .130
 HC30 .510 .616 .744 .069
 HC341 .573 .513 .660 .130
 HC342 .461 .464 .657 .130
 HC343 .592 .460 .745 .130
 HC25 .084 .494 1.163 .069
 HC361 .182 .684 1.227 .130
 HC362 .198 .677 1.106 .130
 HC363 .308 .652 1.201 .130
 HC371 .090 .391 1.113 .130
 HC372 .222 .373 1.077 .130
 HC373 .092 .383 .990 .130
 HC131 -.320 .401 .465 .130
 HC132 -.255 .462 .438 .130
 HC133 -.322 .458 .538 .130
 HC10 -.163 .547 .565 .069
 HC141 -.013 .637 .654 .130
 HC142 .138 .622 .667 .130
 HC143 .071 .619 .768 .130
 HC5 .267 .256 .794 .069
 HC161 -.091 .207 .557 .130
 HC162 -.041 .269 .515 .130
 HC163 -.129 .269 .604 .130
 HC171 .447 .312 .901 .130
 HC172 .400 .373 .947 .130
 HC173 .473 .375 .849 .130