#------------------------------------------------------------------------------
#$Date: 2008-11-20 19:58:43 +0000 (Thu, 20 Nov 2008) $
#$Revision: 481 $
#$URL: svn://www.crystallography.net/cod/cif/2/2010499.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_2010499
_journal_name_full 'Acta Crystallographica Section C'
_journal_year  1995
_journal_volume 51
_journal_page_first  306
_journal_page_last  308
_publ_section_title
;
Decahydro-6,6-dimethoxy-1,2,2,4-tetramethylquinolinium Picrate
;
loop_
_publ_author_name
  'Kasemann, O.'
  'Stanetty, P.'
  'Mereiter, K.'
_chemical_formula_sum  'C21 H32 N4 O9'
_chemical_formula_weight  484.51
_symmetry_cell_setting  monoclinic
_symmetry_space_group_name_H-M  'P 21/n'
_symmetry_space_group_name_Hall  '-P 2yn'
_cell_length_a  9.109(3)
_cell_length_b  16.546(5)
_cell_length_c  15.703(5)
_cell_angle_alpha  90.
_cell_angle_beta  93.38(2)
_cell_angle_gamma  90.
_cell_volume  2362.6(13)
_cell_formula_units_Z  4
_cell_measurement_temperature  294
_exptl_crystal_density_diffrn  1.362
_refine_ls_R_factor_obs  0.060
_refine_ls_wR_factor_obs  0.057
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
  N(1) .3591(2) .31630(10)
  .26050(10)
  .0440(10)
  C(2) .4997(3) .3276(2) .2120(2) .0510(10)
  C(3) .6264(3) .2945(2) .2687(2) .0590(10)
  C(4) .6121(3) .2086(2) .2974(2) .0570(10)
  C(5) .4700(3) .1995(2) .3447(2) .0480(10)
  C(6) .4406(3) .1139(2) .3715(2) .0570(10)
  C(7) .3070(3) .1055(2) .4226(2) .0510(10)
  C(8) .1726(3) .1405(2) .3732(2) .0560(10)
  C(9) .1992(3) .2262(2) .3433(2) .0520(10)
  C(10) .3354(3) .2303(2) .2916(2) .0440(10)
  C(11) .2245(3) .3468(2) .2112(2) .0610(10)
  C(12) .4860(4) .2843(2) .1261(2) .0710(10)
  C(13) .5235(4) .4181(2) .2003(2) .0710(10)
  C(14) .7488(4) .1840(3) .3523(3) .091(2)
  O(15) .3185(2) .14810(10)
  .49960(10)
  .0670(10)
  C(16) .4451(4) .1297(3) .5562(2) .083(2)
  O(17) .2945(3) .02190(10)
  .4372(2) .0750(10)
  C(18) .1897(5) -.0006(3) .4956(3) .102(2)
  C(19) .3517(3) .4295(2) .4751(2) .0460(10)
  C(20) .3660(3) .4082(2) .5644(2) .0460(10)
  C(21) .2909(3) .4448(2) .6267(2) .0520(10)
  C(22) .1974(3) .5079(2) .6056(2) .0510(10)
  C(23) .1808(3) .5347(2) .5232(2) .0530(10)
  C(24) .2533(3) .4975(2) .4607(2) .0470(10)
  O(25) .4113(3) .39110(10)
  .41840(10)
  .0630(10)
  N(26) .4664(3) .3427(2) .5917(2) .0640(10)
  O(27) .5730(3) .32820(10)
  .5521(2) .0800(10)
  O(28) .4396(3) .3066(2) .6569(2) .1140(10)
  N(29) .1186(3) .5472(2) .6712(2) .0680(10)
  O(30) .1346(3) .5219(2) .7443(2) .0840(10)
  O(31) .0375(3) .6038(2) .6501(2) .0950(10)
  N(32) .2280(3) .5312(2) .3750(2) .0610(10)
  O(33) .1215(3) .5748(2) .3608(2) .0820(10)
  O(34) .3141(3) .5159(2) .3217(2) .1050(10)
  H(1) .3750 .3491 .3107 .044
  H(3a) .6303 .3313 .3160 .059
  H(3b) .7139 .2999 .2381 .059
  H(4) .6055 .1728 .2492 .057
  H(5) .4861 .2319 .3950 .048
  H(6a) .5217 .0929 .4065 .057
  H(6b) .4302 .0835 .3194 .057
  H(8a) .0877 .1401 .4067 .056
  H(8b) .1536 .1081 .3231 .056
  H(9a) .1185 .2449 .3064 .052
  H(9b) .2085 .2598 .3932 .052
  H(10) .3210 .1961 .2425 .044
  H(11a) .2463 .3966 .1833 .081
  H(11b) .1494 .3559 .2505 .081
  H(11c) .1908 .3076 .1694 .081
  H(12a) .4072 .3086 .0918 .096
  H(12b) .4660 .2278 .1333 .096
  H(12c) .5764 .2907 .0985 .096
  H(13a) .4484 .4393 .1610 .096
  H(13b) .6184 .4292 .1795 .096
  H(13c) .5163 .4432 .2550 .096
  H(14a) .7431 .1273 .3643 .122
  H(14b) .7559 .2138 .4048 .122
  H(14c) .8340 .1946 .3209 .122
  H(16a) .4249 .1498 .6116 .091
  H(16b) .5347 .1532 .5385 .091
  H(16c) .4551 .0720 .5585 .091
  H(18a) .1771 -.0581 .4986 .137
  H(18b) .0971 .0243 .4795 .137
  H(18c) .2253 .0194 .5504 .137
  H(21) .3035 .4267 .6847 .051
  H(23) .1177 .5798 .5093 .053
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_publ_flag
  N(1) C(2) 1.540(3) yes
  N(1) C(10) 1.524(4) yes
  N(1) C(11) 1.498(3) yes
  C(2) C(3) 1.518(4) yes
  C(2) C(12) 1.526(4) yes
  C(2) C(13) 1.526(5) yes
  C(3) C(4) 1.499(5) yes
  C(4) C(5) 1.537(4) yes
  C(4) C(14) 1.527(5) yes
  C(5) C(6) 1.506(5) yes
  C(5) C(10) 1.529(4) yes
  C(6) C(7) 1.503(4) yes
  C(7) C(8) 1.524(4) yes
  C(7) O(15) 1.398(4) yes
  C(7) O(17) 1.408(4) yes
  C(8) C(9) 1.518(5) yes
  C(9) C(10) 1.524(4) yes
  O(15) C(16) 1.446(4) yes
  O(17) C(18) 1.412(6) yes
  C(19) C(20) 1.444(4) yes
  C(19) C(24) 1.448(4) yes
  C(19) O(25) 1.244(4) yes
  C(20) C(21) 1.368(4) yes
  C(20) N(26) 1.466(4) yes
  C(21) C(22) 1.375(4) yes
  C(22) C(23) 1.368(4) yes
  C(22) N(29) 1.444(4) yes
  C(23) C(24) 1.362(4) yes
  C(24) N(32) 1.462(4) yes
  N(26) O(27) 1.208(4) yes
  N(26) O(28) 1.222(5) yes
  N(29) O(30) 1.222(4) yes
  N(29) O(31) 1.226(4) yes
  N(32) O(33) 1.219(4) yes
  N(32) O(34) 1.207(4) yes