data_2007474
_journal_name_full  'Acta Crystallographica'
_journal_year  1998
_journal_volume  C54
_publ_section_title
;
 (2S,3R,4R,5R)-2-Benzyl-N-(tert-butoxycarbonyl)-3-hydroxy-
  4,5-dimethylpyrrolidine at 133 K
;
loop_
_publ_author_name
  'Bats, Jan W.'
  'Heinrich, Timo'
  'Reggelin, Michael'
_chemical_formula_sum  'C18 H27 N O3'
_chemical_formula_weight  305.42
_symmetry_cell_setting  orthorhombic
_symmetry_space_group_name_h-m  'P 21 21 21'
_cell_length_a  11.2771(10)
_cell_length_b  11.3895(11)
_cell_length_c  13.715(2)
_cell_angle_alpha  90.00
_cell_angle_beta  90.00
_cell_angle_gamma  90.00
_cell_volume  1761.6(4)
_cell_formula_units_z  4
_cell_measurement_temperature  133
_exptl_crystal_density_diffrn  1.152
_refine_ls_R_factor_obs  .033
_refine_ls_wR_factor_obs  .037
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_thermal_displace_type
_atom_site_calc_flag
  O1  -.20087(8)  .54522(7)  .75808(7)  .0250(4) Uani ?
  O2  .08698(8)  .83851(7)  .79032(7)  .0250(4) Uani ?
  O3  .16754(7)  .65792(8)  .82047(7)  .0236(4) Uani ?
  N  -.02055(8)  .69245(8)  .85899(8)  .0186(4) Uani ?
  C1  -.03940(10)
  .56532(9)  .87478(9)  .0174(5) Uani ?
  C2  -.17360(10)
  .55310(10)
  .85918(9)  .0191(5) Uani ?
  C3  -.22250(10)
  .66980(10)
  .89675(9)  .0199(5) Uani ?
  C4  -.13230(10)
  .76020(10)
  .85962(9)  .0185(5) Uani ?
  C5  .00310(10)
  .52710(10)
  .97603(9)  .0209(5) Uani ?
  C6  -.00040(10)
  .39550(10)
  .99051(9)  .0200(5) Uani ?
  C7  .07020(10)
  .32240(10)
  .93349(9)  .0253(6) Uani ?
  C8  .07010(10)
  .20180(10)
  .94740(10)
  .0322(6) Uani ?
  C9  .00030(10)
  .15290(10)
  1.01910(10)
  .0327(6) Uani ?
  C10  -.07090(10)
  .22390(10)
  1.07590(10)
  .0326(6) Uani ?
  C11  -.07210(10)
  .34470(10)
  1.06167(9)  .0254(6) Uani ?
  C12  -.34990(10)
  .69570(10)
  .86690(10)
  .0274(6) Uani ?
  C13  -.12530(10)
  .87040(10)
  .92240(10)
  .0265(6) Uani ?
  C14  .07890(10)
  .73770(10)
  .82004(9)  .0199(5) Uani ?
  C15  .27480(10)
  .67470(10)
  .76002(9)  .0202(5) Uani ?
  C16  .33770(10)
  .55740(10)
  .77300(10)
  .0280(6) Uani ?
  C17  .34980(10)
  .77460(10)
  .79940(10)
  .0262(6) Uani ?
  C18  .23990(10)
  .69330(10)
  .65420(10)
  .0285(6) Uani ?
  H1  .0020(10)
  .5200(10)
  .8240(10)
  .019(3) Uiso ?
  H01  -.1670(10)
  .4860(10)
  .7360(10)
  .042(4) Uiso ?
  H2  -.2060(10)
  .4880(10)
  .8955(9)  .021(3) Uiso ?
  H3  -.2160(10)
  .6710(10)
  .9694(9)  .015(3) Uiso ?
  H4  -.1520(10)
  .7820(10)
  .7949(9)  .022(3) Uiso ?
  H5B  .0830(10)
  .5520(10)
  .9810(10)
  .024(4) Uiso ?
  H5A  -.0460(10)
  .5620(10)
  1.0260(10)
  .029(4) Uiso ?
  H7  .1180(10)
  .3550(10)
  .8870(10)
  .031(4) Uiso ?
  H8  .1230(10)
  .1550(10)
  .9080(10)
  .049(5) Uiso ?
  H9  -.001(2)  .0670(10)
  1.0280(10)
  .053(5) Uiso ?
  H10  -.1230(10)
  .1950(10)
  1.1260(10)
  .038(4) Uiso ?
  H11  -.1200(10)
  .3950(10)
  1.1020(10)
  .033(4) Uiso ?
  H12A  -.3570(10)
  .6950(10)
  .7970(10)
  .040(5) Uiso ?
  H12C  -.4050(10)
  .6380(10)
  .8950(10)
  .054(5) Uiso ?
  H12B  -.3780(10)
  .7710(10)
  .8940(10)
  .037(4) Uiso ?
  H13C  -.0700(10)
  .9350(10)
  .8930(10)
  .039(4) Uiso ?
  H13B  -.0940(10)
  .8500(10)
  .9890(10)
  .035(4) Uiso ?
  H13A  -.2060(10)
  .9070(10)
  .9270(10)
  .047(5) Uiso ?
  H16B  .2870(10)
  .4960(10)
  .7470(10)
  .031(4) Uiso ?
  H16A  .4100(10)
  .5550(10)
  .7350(10)
  .044(5) Uiso ?
  H16C  .3550(10)
  .5410(10)
  .8420(10)
  .028(4) Uiso ?
  H17A  .3670(10)
  .7570(10)
  .8710(10)
  .051(5) Uiso ?
  H17B  .3090(10)
  .8490(10)
  .7900(10)
  .037(4) Uiso ?
  H17C  .4290(10)
  .7740(10)
  .7630(10)
  .033(4) Uiso ?
  H18B  .1880(10)
  .6320(10)
  .6290(10)
  .045(5) Uiso ?
  H18C  .1960(10)
  .7660(10)
  .6470(10)
  .029(4) Uiso ?
  H18A  .3100(10)
  .6980(10)
  .6130(10)
  .041(5) Uiso ?
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
  O1  .0269(4)  .0221(4)  .0262(4)  .0053(4)  -.0068(4)  -.0066(4)
  O2  .0222(4)  .0197(4)  .0359(5)  .0001(4)  .0038(4)  .0077(4)
  O3  .0169(4)  .0232(4)  .0337(4)  .0022(4)  .0056(4)  .0095(4)
  N  .0171(4)  .0143(4)  .0262(5)  .0008(4)  .0016(4)  .0027(4)
  C1  .0171(5)  .0137(4)  .0223(5)  -.0005(4)  .0006(4)  .0013(4)
  C2  .0178(5)  .0176(5)  .0224(5)  -.0010(5)  -.0001(5)  .0006(5)
  C3  .0169(5)  .0205(5)  .0227(5)  .0004(5)  .0015(4)  -.0007(5)
  C4  .0182(5)  .0166(5)  .0209(5)  .0026(4)  .0008(4)  .0006(4)
  C5  .0220(5)  .0182(5)  .0227(5)  -.0006(5)  -.0015(5)  .0001(5)
  C6  .0220(5)  .0186(5)  .0195(5)  -.0005(5)  -.0061(5)  .0016(5)
  C7  .0283(6)  .0259(6)  .0220(5)  .0030(6)  -.0028(5)  .0008(5)
  C8  .0422(7)  .0246(6)  .0322(6)  .0095(6)  -.0124(6)  -.0060(5)
  C9  .0499(8)  .0184(5)  .0379(7)  -.0046(6)  -.0195(6)  .0038(6)
  C10  .0395(7)  .0293(6)  .0301(6)  -.0122(6)  -.0077(6)  .0088(6)
  C11  .0250(5)  .0269(6)  .0244(6)  -.0033(5)  -.0025(5)  .0023(5)
  C12  .0174(5)  .0282(6)  .0420(7)  .0025(5)  .0006(6)  -.0053(6)
  C13  .0296(6)  .0189(5)  .0334(6)  .0010(5)  .0035(6)  -.0044(5)
  C14  .0180(5)  .0195(5)  .0225(5)  -.0004(5)  .0006(5)  .0023(5)
  C15  .0147(4)  .0233(5)  .0242(5)  .0008(5)  .0019(4)  .0034(5)
  C16  .0238(5)  .0275(6)  .0336(6)  .0063(5)  .0015(6)  .0016(6)
  C17  .0197(5)  .0269(6)  .0340(6)  -.0010(5)  -.0018(5)  .0011(6)
  C18  .0271(6)  .0329(7)  .0258(6)  .0022(6)  -.0015(5)  .0020(6)
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_publ_flag
  O1 C2 1.423(2) ?
  O2 C14 1.2210(10)
  ?
  O3 C14 1.3520(10)
  ?
  O3 C15 1.4790(10)
  ?
  N C1 1.4790(10)
  ?
  N C4 1.4780(10)
  ?
  N C14 1.345(2) ?
  C1 C2 1.535(2) ?
  C1 C5 1.532(2) ?
  C2 C3 1.529(2) ?
  C3 C4 1.535(2) ?
  C3 C12 1.523(2) ?
  C4 C13 1.524(2) ?
  C5 C6 1.512(2) ?
  C6 C7 1.392(2) ?
  C6 C11 1.393(2) ?
  C7 C8 1.387(2) ?
  C8 C9 1.377(2) ?
  C9 C10 1.381(2) ?
  C10 C11 1.389(2) ?
  C15 C16 1.523(2) ?
  C15 C17 1.517(2) ?
  C15 C18 1.519(2) ?