#------------------------------------------------------------------------------
#$Date: 2008-01-26 13:05:32 +0000 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: svn://www.crystallography.net/cod/cif/2/2000839.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_2000839
_journal_name_full  'Acta Cryst.'
_journal_year  1992
_journal_volume  C48
_journal_page_first  1092
_journal_page_last  1095
loop_
_publ_author_name
 'Maes, D.'
 'Wyns, L.'
 'Lisgarten, J.'
 'Lisgarten, D.'
 'Palmer, R.'
_chemical_formula_sum  'C21 H32 N2 O2'
_chemical_formula_weight  344
_symmetry_cell_setting  orthorhombic
_symmetry_space_group_name_H-M  'P 21 21 21'
_symmetry_space_group_name_Hall  ?
_cell_length_a  7.3530(10)
_cell_length_b  10.1530(10)
_cell_length_c  25.324(3)
_cell_angle_alpha  90.
_cell_angle_beta  90.
_cell_angle_gamma  90.
_cell_volume  1891
_cell_formula_units_Z  4
_exptl_crystal_density_diffrn  1.21
_exptl_crystal_density_meas  ?
_exptl_crystal_F_000  752
_exptl_absorpt_coefficient_mu  0.53
_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
_atom_site_U_iso_or_equiv
 C(1) -.1769(3) -.0443(2) -.39070(10)
            .048
 C(2) -.1790(3) .0235(3) -.33640(10)
           .056
 C(3) .0072(3) .0750(2) -.32310(10)
          .045
 C(4) .1518(3) .0758(2) -.35960(10)
          .040
 C(5) .1396(2) .0216(2) -.41410(10)
          .038
 C(6) .2736(3) .0809(2) -.45310(10)
          .044
 C(7) .2621(3) .0080(2) -.50560(10)
          .042
 C(8) .0675(2) .0059(2) -.52710(10)
          .033
 C(9) -.0692(2) -.0479(2) -.48590(10)
            .035
 C(10) -.0607(2) .0269(2) -.43290(10)
            .036
 C(11) -.2590(2) -.0556(2) -.51080(10)
          .041
 C(12) -.2643(3) -.1373(2) -.56140(10)
          .042
 C(13) -.1312(3) -.0856(2) -.60270(10)
          .036
 C(14) .0563(3) -.0796(2) -.57610(10)
            .039
 C(15) .1873(3) -.0542(2) -.62230(10)
            .048
 C(16) .1036(3) -.1340(2) -.66820(10)
            .049
 C(17) -.0864(3) -.1799(2) -.64870(10)
          .037
 C(18) -.2189(3) -.1924(2) -.69480(10)
          .044
 C(19) -.1610(4) -.2952(2) -.73400(10)
          .060
 C(20) -.1966(4) .0479(2) -.62420(10)
            .054
 C(21) -.1261(3) .1709(2) -.43880(10)
            .051
 N(1) .2957(3) .1303(2) -.33770(10)
          .055
 N(2) .0588(3) .1279(3) -.27900(10)
          .060
 O(1) -.3944(2) -.2239(2) -.67400(10)
            .056
 O(2) .2412(3) .1641(2) -.28740(10)
          .063
 H(11) -.3151(3) -.0490(2) -.40500(10)
          .033(3)
 H(12) -.1243(3) -.1429(2) -.38590(10)
          .033(3)
 H(21) -.2192(3) -.0474(3) -.30680(10)
          .063(5)
 H(22) -.2750(3) .1040(3) -.33680(10)
            .063(5)
 H(5) .1818(2) -.0802(2) -.41240(10)
           .104(12)
 H(61) .4097(3) .0715(2) -.43750(10)
           .059(5)
 H(62) .2424(3) .1837(2) -.45900(10)
           .059(5)
 H(71) .3483(3) .0575(2) -.53380(10)
           .050(4)
 H(72) .3090(3) -.0919(2) -.50020(10)
            .050(4)
 H(8) .0315(2) .1064(2) -.53640(10)
          .036(5)
 H(9) -.0308(2) -.1470(2) -.47510(10)
            .0580(10)
 H(111) -.3027(2) .0433(2) -.52000(10)
          .041(4)
 H(112) -.3514(2) -.0987(2) -.48250(10)
           .041(4)
 H(121) -.4002(3) -.1340(2) -.57750(10)
           .035(4)
 H(122) -.2293(3) -.2397(2) -.55200(10)
           .035(4)
 H(14) .0955(3) -.1692(2) -.55620(10)
            .077(9)
 H(151) .1926(3) .0492(2) -.63210(10)
            .061(5)
 H(152) .3225(3) -.0889(2) -.61310(10)
          .061(5)
 H(161) .1875(3) -.2184(2) -.67710(10)
          .071(6)
 H(162) .0898(3) -.0736(2) -.70310(10)
          .071(6)
 H(17) -.0945(3) -.2784(2) -.63270(10)
          .026(4)
 H(18) -.2230(3) -.1006(2) -.71630(10)
          .053(6)
 H(191) -.0246(4) -.2723(2) -.74690(10)
           .169(13)
 H(192) -.2519(4) -.2888(2) -.76710(10)
           .169(13)
 H(193) -.1624(4) -.3938(2) -.71800(10)
           .169(13)
 H(201) -.0974(4) .0745(2) -.65370(10)
          .092(6)
 H(202) -.2035(4) .1243(2) -.59460(10)
          .092(6)
 H(203) -.3282(4) .0365(2) -.64250(10)
          .092(6)
 H(211) -.0486(3) .2157(2) -.47030(10)
          .053(4)
 H(212) -.0941(3) .2190(2) -.40190(10)
          .053(4)
 H(213) -.2695(3) .1812(2) -.44690(10)
          .053(4)
 H(1) -.484(3) -.218(2) -.7003(8) .032(5)