data_2000377
_journal_name_full  'Acta Cryst.'
_journal_year  1992
_journal_volume  C48
_journal_page_first  2200
_journal_page_last  2203
loop_
_publ_author_name
 'Nemeth, G.'
 'Pinkerton, A.A.'
 'Stowe, J.A.'
 'Ogle, C.A.'
_chemical_formula_sum  'C27 H33 O9 P'
_chemical_formula_weight  532.53
_symmetry_cell_setting  monoclinic
_symmetry_space_group_name_H-M  'P 1 n 1'
_symmetry_space_group_name_Hall  'P -2yac'
_cell_length_a  8.0903(4)
_cell_length_b  24.8650(10)
_cell_length_c  13.4420(10)
_cell_angle_alpha  90.
_cell_angle_beta  96.790(10)
_cell_angle_gamma  90.
_cell_volume  2685.0(10)
_cell_formula_units_Z  4
_exptl_crystal_density_diffrn  1.32
_exptl_crystal_density_meas  ?
_exptl_crystal_F_000  1128
_exptl_absorpt_coefficient_mu  0.15
_diffrn_radiation_type  Mo
_diffrn_radiation_wavelength  0.70930
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
 P1A .000 .58257(4) .500
 O1A -.1103(4) .68450(10)
         .5475(2)
 O2A .0928(4) .70290(10)
        .8903(2)
 O3A .2084(4) .54390(10)
        .7022(2)
 O4A -.1479(5) .50350(10)
         .6060(2)
 O5A .1006(5) .34380(10)
        .5005(3)
 O6A .2858(5) .51890(10)
        .4079(3)
 O7A .3702(5) .61150(10)
        .5557(2)
 O8A .4345(6) .7027(2) .2433(3)
 O9A -.0710(6) .61770(10)
         .2972(2)
 C1A .0480(6) .61370(10)
        .6241(3)
 C2A -.0254(6) .66400(10)
         .6338(3)
 C3A -.0083(6) .69300(10)
         .7225(3)
 C4A .0828(6) .67100(10)
        .8050(3)
 C5A .1554(6) .62160(10)
        .8020(3)
 C6A .1385(6) .59310(10)
        .7103(3)
 C7A .0690(6) .51180(10)
        .5090(3)
 C8A -.0332(6) .4778(2) .5576(3)
 C9A -.0177(7) .4224(2) .5554(3)
 C10A .0968(7) .3998(2) .5010(3)
 C11A .2005(7) .4309(2) .4535(3)
 C12A .1882(7) .4865(2) .4584(3)
 C13A .1444(7) .61760(10)
         .4289(3)
 C14A .3099(7) .6301(2) .4622(3)
 C15A .4151(7) .6589(2) .4046(3)
 C16A .3436(8) .6736(2) .3085(3)
 C17A .1827(8) .6614(2) .2721(3)
 C18A .0884(7) .6335(2) .3308(3)
 C19A -.1842(8) .7367(2) .5523(3)
 C20A .1865(7) .6827(2) .9778(3)
 C21A .3225(7) .5239(2) .7816(3)
 C22A -.2693(8) .4723(2) .6476(4)
 C23A .1915(9) .3182(2) .4327(4)
 C24A .4359(8) .4996(3) .3837(5)
 C25A .5359(7) .6197(2) .5956(4)
 C26A .5790(10)
     .7262(3) .2838(6)
 C27A -.1350(10)
      .6271(3) .1988(4)
 P1B .5048(2) .08351(4) .06242(7)
 O1B .6153(4) .18090(10)
        -.0138(2)
 O2B .3937(5) .16310(10)
        -.3631(2)
 O3B .2886(4) .03240(10)
        -.1259(2)
 O4B .6689(5) -.00060(10)
         -.0261(2)
 O5B .3693(6) -.15400(10)
         .0801(3)
 O6B .2234(5) .02270(10)
        .1608(3)
 O7B .1351(5) .10790(10)
        -.0035(2)
 O8B .0398(5) .20860(10)
        .2903(2)
 O9B .5587(5) .12740(10)
        .2616(2)
 C1B .4582(6) .10590(10)
        -.0693(2)
 C2B .5275(6) .15470(10)
        -.0929(3)
 C3B .5112(7) .1751(2) -.1902(3)
 C4B .4169(7) .1474(2) -.2635(3)
 C5B .3379(6) .1003(2) -.2442(3)
 C6B .3605(6) .07960(10)
        -.1482(3)
 C7B .4432(6) .01180(10)
        .0646(3)
 C8B .5482(6) -.0240(2) .0211(3)
 C9B .5256(7) -.0793(2) .0238(3)
 C10B .4000(7) -.1002(2) .0716(3)
 C11B .2977(8) -.0670(2) .1182(4)
 C12B .3206(7) -.0114(2) .1143(3)
 C13B .3484(6) .12000(10)
         .1253(3)
 C14B .1860(6) .1309(2) .0869(3)
 C15B .0758(7) .1601(2) .1380(3)
 C16B .1341(6) .1794(2) .2324(3)
 C17B .2932(7) .1690(2) .2753(3)
 C18B .3989(6) .13920(10)
         .2238(3)
 C19B .6879(8) .2320(2) -.0329(4)
 C20B .4800(8) .2080(2) -.3912(3)
 C21B .1811(7) .0053(2) -.2002(3)
 C22B .7907(8) -.0340(2) -.0621(5)
 C23B .4823(9) -.1901(2) .0420(5)
 C24B .0762(8) .0048(3) .1969(5)
 C25B -.0291(8) .1147(2) -.0486(4)
 C26B -.1173(8) .2290(2) .2461(4)
 C27B .6141(8) .1418(2) .3625(3)
 H1A -.063 .727 .727
 H1B .562 .208 -.204
 H2A .215 .606 .860
 H2B .269 .082 -.296
 H3A -.089 .400 .589
 H3B .598 -.102 -.007
 H4A .280 .414 .417
 H4B .210 -.081 .151
 H5A .527 .668 .430
 H5B -.035 .167 .109
 H6A .141 .672 .206
 H6B .329 .182 .341
 H7A -.242 .746 .489
 H7B .743 .246 .028
 H8A -.099 .762 .570
 H8B .766 .227 -.079
 H9A -.260 .737 .601
 H9B .604 .256 -.060
 H10A .185 .708 1.031
 H10B .453 .214 -.461
 H11A .298 .677 .966
 H11B .450 .239 -.356
 H12A .138 .650 .996
 H12B .596 .202 -.376
 H13A .361 .489 .765
 H13B .143 -.027 -.173
 H14A .270 .521 .841
 H14B .089 .028 -.222
 H15A .414 .548 .793
 H15B .240 -.003 -.255
 H16A -.342 .495 .679
 H16B .867 -.013 -.093
 H17A -.215 .448 .696
 H17B .849 -.053 -.007
 H18A -.331 .452 .596
 H18B .738 -.059 -.109
 H19A .181 .280 .439
 H19B .445 -.226 .051
 H20A .305 .328 .448
 H20B .487 -.184 -.027
 H21A .152 .329 .366
 H21B .590 -.186 .078
 H22A .487 .527 .350
 H22B .023 .033 .229
 H23A .414 .470 .340
 H23B .005 -.007 .140
 H24A .508 .489 .441
 H24B .099 -.024 .242
 H25A .557 .605 .661
 H25B -.043 .096 -.111
 H26A .556 .657 .599
 H26B -.103 .100 -.005
 H27A .607 .603 .553
 H27B -.053 .152 -.060
 H28A .627 .745 .233
 H28B -.173 .248 .293
 H29A .652 .698 .309
 H29B -.095 .253 .194
 H30A .561 .750 .337
 H30B -.185 .200 .219
 H31A -.246 .614 .189
 H31B .727 .131 .379
 H32A -.070 .610 .154
 H32B .604 .179 .372
 H33A -.136 .665 .186
 H33B .546 .123 .404