#------------------------------------------------------------------------------
#$Date: 2008-01-13 22:15:36 +0000 (Sun, 13 Jan 2008) $
#$Revision: 14 $
#$URL: svn://www.crystallography.net/cod/cif/2/2000546.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_2000546
_journal_name_full  'Acta Cryst.'
_journal_year  1992
_journal_volume  C48
_journal_page_first  1848
_journal_page_last  1851
loop_
_publ_author_name
 'Bugge, K.-E.'
 'Verboom, W.'
 'Reinhoudt, D.N.'
 'Harkema, S.'
_chemical_formula_moiety  'C48 H64 O4,C2 H6 O1'
_chemical_formula_sum  'C50 H70 O5'
_chemical_formula_weight  751.1
_symmetry_cell_setting  triclinic
_symmetry_space_group_name_H-M  'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_cell_length_a  12.3840(10)
_cell_length_b  17.7860(10)
_cell_length_c  21.903(2)
_cell_angle_alpha  97.680(10)
_cell_angle_beta  96.960(10)
_cell_angle_gamma  105.730(10)
_cell_volume  4539.0(10)
_cell_formula_units_Z  4
_exptl_crystal_density_diffrn  1.099
_exptl_crystal_density_meas  ?
_exptl_crystal_F_000  1640
_exptl_absorpt_coefficient_mu  0.504
_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
 O12 .1730(2) .4738(2) .09220(10)
 O32 .0792(3) .4102(2) -.02720(10)
 O52 .2937(3) .3976(2) -.06730(10)
 O72 .3872(3) .4513(2) .05430(10)
 O101A .0614(9) .0849(6) -.0117(4)
 O101B -.0219(9) .1355(6) .0773(5)
 O412 1.0423(2) .3464(2) .5395(2)
 O432 .9216(3) .4510(2) .55790(10)
 O452 .9149(2) .4271(2) .68900(10)
 O472 1.0354(3) .3224(2) .6737(2)
 O501 .4903(5) .2183(3) .5402(3)
 C1 .1402(4) .4181(3) .1308(2)
 C2 .0276(4) .3740(3) .1229(2)
 C3 -.0036(4) .3196(3) .1619(2)
 C4 .0749(4) .3084(3) .2084(2)
 C5 .1882(4) .3517(3) .2126(2)
 C6 .2245(4) .4055(3) .1745(2)
 C7 .0413(4) .2501(3) .2532(2)
 C8 .1015(5) .1851(3) .2438(3)
 C9 -.0864(4) .2105(3) .2435(3)
 C10 .0789(5) .2945(3) .3211(2)
 C11 -.0607(4) .3817(3) .0708(2)
 C13 .1814(4) .5544(3) .1203(2)
 C14 .2579(4) .6094(3) .0870(3)
 C21 -.0022(4) .3387(3) -.0325(2)
 C22 -.0750(4) .3224(3) .0107(2)
 C23 -.1605(4) .2510(3) -.0017(2)
 C24 -.1784(4) .1953(3) -.0555(2)
 C25 -.1013(4) .2137(3) -.0966(2)
 C26 -.0134(4) .2829(3) -.0863(2)
 C27 -.2759(4) .1188(3) -.0713(2)
 C28 -.2298(5) .0471(3) -.0784(3)
 C29 -.3529(5) .1101(3) -.0210(3)
 C30 -.3504(5) .1183(3) -.1327(3)
 C31 .0717(4) .2983(3) -.1315(2)
 C41 .2761(4) .3158(3) -.0824(2)
 C42 .1723(4) .2670(3) -.1143(2)
 C43 .1594(4) .1868(3) -.1300(2)
 C44 .2452(4) .1530(3) -.1129(2)
 C45 .3463(4) .2041(3) -.0781(2)
 C46 .3647(4) .2850(3) -.0618(2)
 C47 .2311(5) .0646(3) -.1334(3)
 C48B .3207(8) .0605(5) -.1843(5)
 C48A .196(2) .0370(10)
       -.1981(9)
 C49B .1143(8) .0199(5) -.1735(5)
 C49A .3120(10)
     .0329(7) -.0939(6)
 C50B .2630(10)
     .0278(6) -.0763(6)
 C50A .1090(10)
     .0170(10)
       -.1059(8)
 C51 .4732(4) .3375(3) -.0194(2)
 C53 .3222(4) .4408(3) -.1178(2)
 C54 .2842(5) .5141(3) -.1077(3)
 C61 .4195(4) .3932(3) .0813(2)
 C62 .4643(4) .3393(3) .0490(2)
 C63 .4998(4) .2853(3) .0806(2)
 C64 .4933(4) .2831(3) .1430(2)
 C65 .4476(4) .3381(3) .1738(2)
 C66 .4087(4) .3917(3) .1443(2)
 C67 .5335(4) .2242(3) .1785(2)
 C68 .5791(5) .1686(3) .1373(3)
 C69 .4326(5) .1732(3) .2029(3)
 C70 .6286(5) .2710(3) .2343(3)
 C71 .3510(4) .4467(3) .1783(2)
 C102 .0766(8) .1344(8) .0478(4)
 C103 .1728(6) .2110(4) .0607(3)
 C401 .9780(4) .2743(3) .5030(2)
 C402 .9010(4) .2746(3) .4501(2)
 C403 .8346(4) .2017(3) .4157(2)
 C404 .8411(4) .1298(3) .4299(2)
 C405 .9191(4) .1331(3) .4830(2)
 C406 .9865(4) .2032(3) .5209(2)
 C407 .7696(5) .0501(3) .3923(3)
 C408 .6839(5) .0580(4) .3395(3)
 C409 .7024(7) .0018(4) .4353(3)
 C410 .8462(6) .0070(3) .3638(3)
 C411 .8865(4) .3518(3) .4343(2)
 C413 1.1571(4) .3741(3) .5269(2)
 C414 1.2230(5) .4385(3) .5792(3)
 C421 .8140(4) .4202(3) .5240(2)
 C422 .7927(4) .3752(3) .4639(2)
 C423 .6822(4) .3512(3) .4315(2)
 C424 .5915(4) .3690(3) .4555(2)
 C425 .6163(4) .4126(3) .5161(2)
 C426 .7248(4) .4377(3) .5508(2)
 C427 .4730(4) .3451(3) .4154(2)
 C428 .4771(4) .3972(3) .3641(3)
 C429 .4392(5) .2587(3) .3837(3)
 C430 .3827(4) .3584(3) .4526(3)
 C431 .7461(4) .4801(3) .6187(2)
 C441 .8000(4) .3936(3) .6926(2)
 C442 .7170(4) .4211(3) .6622(2)
 C443 .6054(4) .3891(3) .6698(2)
 C444 .5728(4) .3299(3) .7051(2)
 C445 .6586(4) .3009(3) .7317(2)
 C446 .7722(4) .3322(3) .7261(2)
 C447 .4501(4) .2958(3) .7150(2)
 C448 .4056(6) .2103(5) .6851(5)
 C449 .3732(5) .3407(4) .6921(3)
 C450 .4461(5) .3003(4) .7844(3)
 C451 .8626(4) .2988(3) .7553(2)
 C453 .9722(4) .4966(3) .7354(2)
 C454 1.0881(5) .5302(3) .7221(3)
 C461 .9658(4) .2473(3) .6726(2)
 C462 .8848(4) .2321(3) .7118(2)
 C463 .8224(4) .1546(3) .7096(2)
 C464 .8366(4) .0905(3) .6711(2)
 C465 .9176(4) .1088(3) .6326(2)
 C466 .9815(4) .1858(3) .6313(2)
 C467 .7673(4) .0055(3) .6721(3)
 C468 .6433(6) -.0036(4) .6553(5)
 C469 .7988(6) -.0556(3) .6271(3)
 C470 .7924(6) -.0136(3) .7373(3)
 C471 1.0568(4) .2024(3) .5825(2)
 C502 .5700(7) .1585(7) .5130(8)
 C503 .6862(5) .2022(4) .5682(4)