data_2001964
_journal_name_full 'Acta Crystallographica, Section C'
_journal_year 1993
_journal_volume C49
_journal_page_first 298
_journal_page_last 300
loop_
_publ_author_name
'Hempel, A.'
'Hamodrakas, S.J.'
'Troganis, A.'
'Stassinopoulou, C.I.'
'Camerman, N.'
'Ottensmeyer, F.P.'
'Camerman, A.'
_chemical_formula_moiety ?
_chemical_formula_sum 'C15 H28 N1 O7'
_chemical_formula_weight 334.39
_symmetry_cell_setting monoclinic
_symmetry_space_group_name_H-M 'P 1 21 1'
_symmetry_space_group_name_Hall 'P 2y1'
_cell_length_a 9.239(4)
_cell_length_b 14.475(6)
_cell_length_c 6.404(3)
_cell_angle_alpha  90
_cell_angle_beta 91.19(5)
_cell_angle_gamma  90
_cell_volume 856.25
_cell_formula_units_Z 2
_exptl_crystal_density_diffrn 1.303
_exptl_crystal_density_meas 1.297
_exptl_crystal_F_000 362
_exptl_absorpt_coefficient_mu 0.766
_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
O(1) .0785(3) .3230(3) .1332(3) .0333(13)
O(2) .0346(3) .5126(3) -.2427(5) .0377(14)
O(3) .2628(3) .2393(3) -.0177(3) .0411(14)
O(4) .6740(3) .0245(3) .3625(5) .0493(16)
C(5) .0388(3) .2524(3) -.2071(6) .0328(18)
O(6) .0895(3) .1882(3) -.3546(5) .0519(18)
C(7) .0208(3) .4232(3) -.1541(6) .0288(17)
C(8) .0529(3) .3476(3) -.3070(6) .0279(17)
O(9) -.0474(3) .3549(3) -.4779(3) .0368(13)
O(10) -.0377(3) .5056(3) .2558(5) .0471(17)
C(11) .3404(5) .0890(3) .0913(6) .039(2)
N(12) .5738(3) .0751(3) .2813(5) .0346(16)
C(13) .1174(3) .4095(3) .0392(6) .0313(18)
C(14) .1133(3) .2451(3) .0066(6) .0336(18)
C(15) .4887(5) .2278(3) .1569(6) .041(2)
C(16) .3382(3) .1906(3) .1484(6) .0339(18)
C(17) .5928(3) .1772(3) .3063(6) .038(2)
C(18) .4314(3) .0292(3) .2417(6) .0357(19)
C(19) .1064(5) .4869(3) .1979(6) .043(2)
C(20) .3573(6) .0125(5) .4487(7) .056(3)
C(21) .4620(6) -.0627(3) .1348(9) .056(3)
C(22) .7473(5) .2008(3) .2506(9) .056(3)
C(23) .5669(6) .2030(5) .5345(7) .066(3)
H(O2) .117(6)   .521(4)   -.277(9)   ?
H(O6) .0744 .1352 -.3259 ?
H(O9) -.015(6)   .326(4)   -.570(9)   ?
H(O1O) -.0406 .4621 .3328 ?
H(C5) -.076(5)   .243(4)   -.183(7)   ?
H(C7) -.091(6)   .415(4)   -.117(8)   ?
H(C8) .151(6)   .356(4)   -.350(9)   ?
H(C11)1 .388(5)   .082(4)   -.049(9)   ?
H(C11)2 .238(6)   .074(4)   .101(8)   ?
H(C13) .218(6)   .408(4)   -.007(8)   ?
H(C14) .087(6)   .194(4)   .077(8)   ?
H(C15)1 .531(5)   .226(4)   .011(9)   ?
H(C15)2 .491(5)   .287(4)   .206(8)   ?
H(C16) .286(5)   .197(4)   .290(8)   ?
H(C19)1 .135(6)   .543(4)   .140(9)   ?
H(C19)2 .170(5)   .472(4)   .317(9)   ?
H(C20)1 .2648(6) -.0313(5) .4163(7) ?
H(C20)2 .3210(6) .0772(5) .5131(7) ?
H(C20)3 .4291(6) -.0214(5) .5597(7) ?
H(C21)1 .3564(6) -.0926(3) .1055(10) ?
H(C21)2 .5238(6) -.1068(3) .2392(10) ?
H(C21)3 .5178(6) -.0559(3) -.0109(10) ?
H(C22)1 .7422(5) .2748(3) .2673(10) ?
H(C22)2 .7785(5) .1836(3) .0938(10) ?
H(C22)3 .8260(5) .1731(3) .3609(10) ?
H(C23)1 .6047(6) .2714(5) .5744(7) ?
H(C23)2 .6238(6) .1527(5) .6298(7) ?
H(C23)3 .4523(6) .1984(5) .5619(7) ?