data_2000164
_journal_name_full 'Acta Cryst. C'
_journal_year   1991
_journal_volume  47
_journal_page_first  2715
_journal_page_last  2716
loop_
_publ_author_name
 'Baures, P.W.'
_chemical_formula_moiety  'C18 H15 O1 P1, 0.5(H2 O1)'
_chemical_formula_sum  'C18 H16 O1.5 P1'
_chemical_formula_weight  287.30
_symmetry_cell_setting  monoclinic
_symmetry_space_group_name_H-M  'C 1 2/c 1'
_symmetry_space_group_name_Hall  '-C 2yc'
_cell_length_a  19.423(5)
_cell_length_b  8.478(5)
_cell_length_c  18.327(5)
_cell_angle_alpha  90
_cell_angle_beta  90.67(2)
_cell_angle_gamma  90
_cell_volume  3017.7(9)
_cell_formula_units_Z  8
_exptl_crystal_density_diffrn  1.265
_exptl_crystal_density_meas  ?
_exptl_crystal_F_000  1208
_exptl_absorpt_coefficient_mu  1.6134
_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
 P .12465(5) .07960(10)    .09913(5)
 O .07410(10)   -.0166(3) .13970(10)
 OW1 .500 .6930(4) .750
 C1 .1402(2) .0075(4) .0084(2)
 C2 .0861(2) .0076(4) -.0423(2)
 C3 .0930(2) -.0617(5) -.1104(2)
 C4 .1553(2) -.1282(5) -.1293(2)
 C5 .2099(2) -.1271(5) -.0805(2)
 C6 .2026(2) -.0609(4) -.0114(2)
 C7 .0971(2) .2806(4) .0894(2)
 C8 .0543(2) .3435(5) .1431(2)
 C9 .0337(2) .5007(5) .1389(2)
 C10 .0549(2) .5945(5) .0826(3)
 C11 .0965(2) .5347(5) .0296(2)
 C12 .1175(2) .3776(4) .0321(2)
 C13 .2078(2) .0847(4) .1445(2)
 C14 .2201(2) -.0206(4) .2014(2)
 C15 .2833(2) -.0195(5) .2372(2)
 C16 .3349(2) .0824(5) .2168(2)
 C17 .3225(2) .1863(5) .1600(2)
 C18 .2596(2) .1876(4) .1244(2)
 H(OW) .522(2) .634(6) .719(2)
 H1 .043(2) .060(5) -.029(2)
 H2 .056(2) -.060(5) -.142(2)
 H3 .162(2) -.177(6) -.178(2)
 H4 .253(2) -.171(5) -.094(2)
 H5 .240(2) -.059(5) .023(2)
 H6 .039(2) .272(5) .183(2)
 H7 .003(2) .541(6) .175(2)
 H8 .038(2) .704(6) .085(2)
 H9 .109(2) .594(6) -.014(2)
 H10 .146(2) .333(5) -.009(2)
 H11 .181(2) -.090(5) .217(2)
 H12 .295(2) -.085(6) .278(2)
 H13 .380(2) .087(6) .238(2)
 H14 .360(2) .251(6) .146(2)
 H15 .250(2) .258(5) .085(2)