data_2000601
_journal_name_full  'Acta Cryst.'
_journal_year  1992
_journal_volume  C48
_journal_page_first  1630
_journal_page_last  1633
loop_
_publ_author_name
 'Woudenberg, R.H.'
 'Lie, T.S.'
 'Koningsveld, H. van'
 'Maat, L.'
_chemical_formula_moiety  'C25 H33 N1 O3,H1 Cl1'
_chemical_formula_sum  'C25 H34 Cl1 N1 O3'
_chemical_formula_weight  432.00
_symmetry_cell_setting  monoclinic
_symmetry_space_group_name_H-M  'P 1 21 1'
_symmetry_space_group_name_Hall  'P 2y1'
_cell_length_a  9.304(2)
_cell_length_b  10.987(2)
_cell_length_c  11.833(2)
_cell_angle_alpha  90.
_cell_angle_beta  109.650(10)
_cell_angle_gamma  90.
_cell_volume  1139.2
_cell_formula_units_Z  2
_exptl_crystal_density_diffrn  1.26
_exptl_crystal_density_meas  ?
_exptl_crystal_F_000  464
_exptl_absorpt_coefficient_mu  0.1986
_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
 Cl .8411(2) -.11297 1.0494(2) .109
 C(1) .3478(5) .2596(4) .7218(4) .039
 C(2) .2305(5) .2625(4) .6117(4) .038
 C(3) .2561(4) .2424(4) .5026(4) .033
 C(4) .4046(4) .2137(4) .5098(3) .030
 C(5) .6274(4) .1861(4) .4683(3) .030
 C(6) .6989(5) .3070(4) .4548(4) .033
 C(7) .8100(5) .3603(4) .5443(4) .037
 C(8) .8542(4) .3163(5) .6673(4) .037
 C(9) .7869(4) .1944(5) .8209(4) .036
 C(10) .6389(4) .2456(5) .8418(3) .037
 C(11) .4972(4) .2313(4) .7287(3) .032
 C(12) .5157(4) .2018(4) .6210(3) .027
 C(13) .6589(4) .1546(4) .6036(3) .028
 C(14) .7850(4) .2217(4) .6953(3) .031
 C(15) .6702(5) .0160(4) .6263(4) .038
 C(16) .6872(6) -.0140(5) .7542(5) .044
 N(17) .8109(4) .0571(4) .8421(4) .045
 C(18) .1319(6) .1744(7) .2996(5) .057
 C(19) .6686(6) .0897(5) .3905(4) .040
 C(20) .8401(6) .0765(6) .4140(5) .057
 C(21) .7319(7) .4417(5) .3090(5) .060
 C(22) .6702(6) .3854(6) .8607(5) .051
 C(23) .5641(7) .4587(6) .9078(5) .065
 C(24) .6140(6) .1868(6) .9524(4) .052
 C(25) .7480(7) .2079(8) 1.0719(4) .073
 C(26) .9687(6) .0227(7) .8422(5) .064
 O(1) .1377(3) .2582(4) .3965(3) .046
 O(2) .4583(3) .1964(3) .4166(2) .034
 O(3) .6509(4) .3420(3) .3379(3) .042
 H(11) .324(5) .274(5) .789(4) ?
 H(21) .126(5) .288(5) .609(4) ?
 H(71) .869(5) .439(5) .528(4) ?
 H(81) .934(5) .362(5) .738(4) ?
 H(91) .877(5) .228(5) .880(4) ?
 H(151) .569(5) -.023(5) .575(4) ?
 H(152) .738(5) -.018(5) .612(4) ?
 H(161) .578(6) -.003(5) .765(4) ?
 H(162) .707(6) -.083(5) .766(5) ?
 H(171) .811(6) .039(5) .927(5) ?
 H(191) .625(6) .009(5) .403(4) ?
 H(192) .621(6) .106(5) .316(5) ?
 H(221) .762(6) .390(6) .910(5) ?
 H(222) .659(6) .420(6) .773(5) ?
 H(241) .522(6) .225(6) .969(5) ?
 H(242) .594(6) .072(6) .932(5) ?