data_2000378
_journal_name_full  'Acta Cryst.'
_journal_year  1992
_journal_volume  C48
_journal_page_first  2203
_journal_page_last  2207
loop_
_publ_author_name
 'Jones, P.G.'
 'Schomburg, D.'
 'Hopf, H.'
 'Lehne, V.'
_chemical_formula_sum  'C25 H22 O1'
_chemical_formula_weight  338.4
_symmetry_cell_setting  monoclinic
_symmetry_space_group_name_H-M  'P 1 21/c 1'
_symmetry_space_group_name_Hall  '-P 2ybc'
_cell_length_a  10.677(2)
_cell_length_b  26.122(3)
_cell_length_c  13.053(2)
_cell_angle_alpha  90.
_cell_angle_beta  92.96(2)
_cell_angle_gamma  90.
_cell_volume  3635.7(10)
_cell_formula_units_Z  8
_exptl_crystal_density_diffrn  1.237
_exptl_crystal_density_meas  ?
_exptl_crystal_F_000  1440
_exptl_absorpt_coefficient_mu  0.57
_diffrn_radiation_type  Cu
_diffrn_radiation_wavelength  1.54178
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
 C(1) .6070(2) .28780(10)
         .9005(2) .0660(10)
 C(2) .5901(2) .34450(10)
         .8723(2) .0630(10)
 C(3) .7087(2) .37450(10)
         .89200(10)
         .0510(10)
 C(4) .7877(2) .38320(10)
         .81300(10)
         .0470(10)
 C(5) .9055(2) .40450(10)
         .83320(10)
         .0450(10)
 C(6) .9459(2) .41940(10)
         .93160(10)
         .0520(10)
 C(7) .8635(2) .41340(10)
         1.0090(2) .0590(10)
 C(8) .7470(2) .39070(10)
         .98970(10)
         .0590(10)
 C(9) 1.0783(2) .43890(10)
       .9470(2) .0630(10)
 C(10) 1.1771(2) .39660(10)
        .9465(2) .0640(10)
 C(11) 1.1697(2) .35750(10)
        .86120(10)
           .0500(10)
 C(12) 1.0928(2) .36140(10)
        .77140(10)
           .0460(10)
 C(13) 1.0830(2) .32090(10)
        .70230(10)
           .0500(10)
 C(14) 1.1475(2) .27540(10)
        .7196(2) .0550(10)
 C(15) 1.2321(2) .27370(10)
        .8041(2) .0620(10)
 C(16) 1.2426(2) .31380(10)
        .8727(2) .0590(10)
 C(17) 1.1146(2) .22820(10)
        .6577(2) .0670(10)
 C(18) 1.0360(2) .19020(10)
        .7179(2) .0630(10)
 C(19) .9230(2) .21420(10)
       .76480(10)
          .0520(10)
 C(20) .8063(2) .21600(10)
       .7138(2) .0590(10)
 C(21) .7051(2) .23910(10)
       .7569(2) .0600(10)
 C(22) .7158(2) .26170(10)
       .8526(2) .0540(10)
 C(23) .8332(2) .25940(10)
       .9037(2) .0590(10)
 C(24) .9334(2) .23610(10)
       .8611(2) .0570(10)
 C(25) .9977(2) .40270(10)
       .75190(10)
          .0460(10)
 O(1) .98910(10)
      .42700(10)
         .67270(10)
         .0640(10)
 C(1') .8503(2) .45490(10)
       .4478(2) .0680(10)
 C(2') .8651(2) .44960(10)
       .3325(2) .0650(10)
 C(3') .7447(2) .46090(10)
       .27200(10)
          .0540(10)
 C(4') .6658(2) .42090(10)
       .24300(10)
          .0490(10)
 C(5') .5476(2) .43050(10)
       .19870(10)
          .0500(10)
 C(6') .5045(2) .48010(10)
       .1800(2) .0610(10)
 C(7') .5863(2) .51960(10)
       .2049(2) .0680(10)
 C(8') .7031(2) .51040(10)
       .2515(2) .0640(10)
 C(9') .3704(2) .48650(10)
       .1382(2) .0790(10)
 C(10') .2747(2) .47870(10)
        .2181(2) .0790(10)
 C(11') .2835(2) .43170(10)
        .2843(2) .0600(10)
 C(12') .3621(2) .38970(10)
        .26850(10)
           .0500(10)
 C(13') .3744(2) .35130(10)
        .34180(10)
           .0520(10)
 C(14') .3115(2) .35220(10)
        .4318(2) .0590(10)
 C(15') .2268(2) .39140(10)
        .4434(2) .0700(10)
 C(16') .2128(2) .42960(10)
        .3714(2) .0700(10)
 C(17') .3469(2) .31500(10)
        .5160(2) .0700(10)
 C(18') .4286(2) .34010(10)
        .6026(2) .0740(10)
 C(19') .5406(2) .36920(10)
        .56500(10)
           .0580(10)
 C(20') .6467(2) .34440(10)
        .5342(2) .0640(10)
 C(21') .7462(2) .37180(10)
        .4973(2) .0640(10)
 C(22') .7434(2) .42440(10)
        .48930(10)
           .0550(10)
 C(23') .6380(2) .44870(10)
        .5206(2) .0630(10)
 C(24') .5386(2) .42180(10)
        .5579(2) .0640(10)
 C(25') .4572(2) .38720(10)
        .18910(10)
           .0500(10)
 O(1') .47000(10)
       .35010(10)
       .13460(10)
          .0710(10)
 H(1A) .5313 .2695 .8817 ?
 H(1B) .6201 .2856 .9737 ?
 H(2A) .5651 .3467 .8007 ?
 H(2B) .5249 .3593 .9106 ?
 H(4) .7609 .3746 .7438 ?
 H(7) .8869 .4256 1.0767 ?
 H(8) .6927 .3857 1.0452 ?
 H(9A) 1.0939 .4626 .8929 ?
 H(9B) 1.0862 .4572 1.0108 ?
 H(10A) 1.2581 .4125 .9464 ?
 H(10B) 1.1733 .3783 1.0101 ?
 H(13) 1.0309 .3245 .6405 ?
 H(15) 1.2830 .2437 .8149 ?
 H(16) 1.3023 .3115 .9300 ?
 H(17A) 1.0671 .2379 .5963 ?
 H(17B) 1.1905 .2121 .6380 ?
 H(18A) 1.0893 .1758 .7719 ?
 H(18B) 1.0077 .1628 .6735 ?
 H(20) .7958 .2010 .6467 ?
 H(21) .6249 .2394 .7201 ?
 H(23) .8441 .2746 .9706 ?
 H(24) 1.0127 .2346 .8992 ?
 H(1'A) .8376 .4904 .4628 ?
 H(1') .9268 .4443 .4836 ?
 H(2'A) .8898 .4151 .3184 ?
 H(2'B) .9297 .4721 .3109 ?
 H(4') .6928 .3862 .2539 ?
 H(7') .5609 .5541 .1891 ?
 H(8') .7565 .5388 .2705 ?
 H(9'A) .3544 .4622 .0839 ?
 H(9'B) .3607 .5202 .1096 ?
 H(10C) .1929 .4789 .1841 ?
 H(10D) .2795 .5078 .2628 ?
 H(13') .4286 .3229 .3293 ?
 H(15') .1776 .3918 .5029 ?
 H(16') .1519 .4559 .3810 ?
 H(17C) .3934 .2873 .4881 ?
 H(17D) .2720 .3011 .5428 ?
 H(18C) .4584 .3142 .6501 ?
 H(18D) .3769 .3633 .6387 ?
 H(20') .6510 .3077 .5387 ?
 H(21') .8194 .3539 .4768 ?
 H(23') .6336 .4853 .5170 ?
 H(24') .4665 .4400 .5799 ?