data_2002064
_journal_name_full 'Acta Crystallographica, Section C'
_journal_year 1992
_journal_volume C49
_journal_page_first 93
_journal_page_last 95
loop_
_publ_author_name
'Sekar, K.'
'Parthasarathy, S.'
'Radhakrishnan, T.R.'
_chemical_formula_moiety ?
_chemical_formula_sum 'C20 H23 N1 O1'
_chemical_formula_weight 293.4
_symmetry_cell_setting triclinic
_symmetry_space_group_name_H-M 'P -1'
_symmetry_space_group_name_Hall ?
_cell_length_a 6.486(2)
_cell_length_b 10.921(2)
_cell_length_c 12.5420(10)
_cell_angle_alpha 79.900(10)
_cell_angle_beta 88.87(2)
_cell_angle_gamma 73.50(2)
_cell_volume 838.2(3)
_cell_formula_units_Z 2
_exptl_crystal_density_diffrn 1.16
_exptl_crystal_density_meas ?
_exptl_crystal_F_000 316
_exptl_absorpt_coefficient_mu 0.515
_diffrn_radiation_type Cu
_diffrn_radiation_wavelength 1.5418
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
N(1) .3041(2) .10270(10)
   .76230(10)
.0450(10)
C(2) .3213(2) .19940(10)
   .66710(10)
.0440(10)
C(3) .1785(2) .19960(10)
   .56790(10)
.0490(10)
C(4) .2210(2) .0611(2) .54810(10)
.0500(10)
C(5) .2159(3) -.0379(2) .64690(10)
 .0540(10)
C(6) .3624(2) -.02990(10)
.73750(10)
 .0450(10)
C(7) .4529(4) .1050(2) .84850(10)
.0690(10)
C(8) .2694(2) .33290(10)
   .69880(10)
.0480(10)
C(9) .0978(3) .3763(2) .76410(10)
.0590(10)
C(10) .0573(4) .4963(2) .7962(2) .074(11)
C(11) .1867(4) .5754(2) .7630(2) .0760(10)
C(12) .3565(4) .5345(2) .6978(2) .0770(10)
C(13) .3966(3) .4149(2) .6653(2) .0630(10)
C(14) -.0623(3) .2494(2) .5852(2) .0670(10)
C(15) .2385(4) .2831(2) .46740(10)
 .0740(10)
O(16) .2495(2) .03180(10)
.45910(10)
 .0650(10)
C(17) .3465(3) -.12740(10)
 .83730(10)
  .0480(10)
C(18) .1573(3) -.1138(2) .89350(10)
  .0630(10)
C(19) .1436(4) -.2028(2) .9848(2) .0770(10)
C(20) .3176(4) -.3091(2) 1.01920(10)
   .0740(10)
C(21) .5035(4) -.3244(2) .9648(2) .0720(10)
C(22) .5192(3) -.23430(10)
 .87290(10)
  .0580(10)
H1C2 .473(3) .181(2) .6420(10)
 ?
H1C5 .272(5) -.133(2) .6220(10)
  ?
H2C5 .062(4) -.021(2) .6670(10)
  ?
H1C6 .528(3) -.059(2) .7150(10)
  ?
H1C7 .412(5) .183(2) .874(2) ?
H2C7 .444(5) .038(2) .913(2) ?
H3C7 .603(5) .089(3) .816(2) ?
H1C9 .005(4) .318(2) .792(2) ?
H1C10 -.075(5) .520(3) .849(2) ?
H1C11 .200(4) .655(2) .766(2) ?
H1C12 .460(5) .590(3) .671(2) ?
H1C13 .509(5) .393(3) .623(2) ?
H1C14 -.110(5) .347(2) .584(2) ?
H2C14 -.099(4) .199(2) .664(2) ?
H3C14 -.147(5) .235(3) .517(2) ?
H1C15 .204(4) .374(2) .479(2) ?
H2C15 .389(5) .253(3) .450(2) ?
H3C15 .168(5) .280(2) .403(2) ?
H1C18 .057(4) -.032(2) .853(2) ?
H1C19 -.007(5) -.178(3) 1.030(2) ?
H1C20 .250(3) -.349(2) 1.078(2) ?
H1C21 .613(5) -.399(2) .985(2) ?
H1C22 .650(4) -.248(2) .828(2) ?