data_2001991
_journal_name_full 'Acta Crystallographica, Section C'
_journal_year 1993
_journal_volume C49
_journal_page_first 355
_journal_page_last 357
loop_
_publ_author_name
'Thomas, J.A.'
'Hamor, T.A.'
_chemical_formula_moiety ?
_chemical_formula_sum 'C18 H15 O1 P1'
_chemical_formula_weight 278.3
_symmetry_cell_setting orthorhombic
_symmetry_space_group_name_H-M 'P b c a'
_symmetry_space_group_name_Hall '-P 2ac 2ab'
_cell_length_a 29.085(15)
_cell_length_b 9.149(4)
_cell_length_c 11.266(5)
_cell_angle_alpha  90
_cell_angle_beta  90
_cell_angle_gamma  90
_cell_volume 2997.9
_cell_formula_units_Z 8
_exptl_crystal_density_diffrn 1.233
_exptl_crystal_density_meas ?
_exptl_crystal_F_000 1168
_exptl_absorpt_coefficient_mu 0.1170
_diffrn_radiation_type Mo
_diffrn_radiation_wavelength 0.71069
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
P(1) .11874(5) .13767(14) .21413(12) .046
O(1) .11630(10)
  .0825(3) .3381(3) .062
C(1) .1262(2) -.0089(5) .1087(5) .045
C(2) .1445(2) .0088(8) -.0027(6) .064
C(3) .1500(3) -.1093(8) -.0762(6) .081
C(4) .1374(2) -.2473(8) -.0409(7) .075
C(5) .1187(3) -.2652(7) .0674(6) .074
C(6) .1129(2) -.1489(6) .1434(5) .061
C(7) .0680(2) .2356(5) .1690(4) .045
C(8) .0402(2) .1941(7) .0777(6) .073
C(9) .0(2) .2693(10) .0531(7) .100
C(10) -.0122(2) .3887(9) .1190(8) .090
C(11) .0151(3) .4332(8) .2078(8) .098
C(12) .0556(2) .3586(9) .2317(7) .093
C(13) .1662(2) .2602(5) .1927(4) .043
C(14) .1691(2) .3578(7) .0980(5) .057
C(15) .2079(3) .4413(7) .0829(7) .083
C(16) .2440(3) .4274(9) .1586(9) .100
C(17) .2418(2) .3342(10) .2514(7) .089
C(18) .2029(2) .2475(7) .2697(6) .065
H(2) .1490(19) .103(6)   -.024(5)   .09(2)
H(3) .1601(17) -.097(6)   -.148(4)   .07(2)
H(4) .1381(18) -.349(7)   -.099(5)   .12(2)
H(5) .1098(18) -.356(6)   .093(5)   .079(19)
H(6) .0975(13) -.166(5)   .220(4)   .050(14)
H(8) .049(2)   .115(5)   .030(5)   .09(2)
H(9) -.016(2)   .242(7)   -.018(5)   .10(2)
H(10) -.044(2)   .439(7)   .084(5)   .15(3)
H(11) .013(2)   .537(7)   .264(6)   .18(3)
H(12) .0744(17) .381(6)   .298(4)   .074(19)
H(14) .1405(15) .375(5)   .048(4)   .063(16)
H(15) .215(2)   .512(6)   .014(5)   .10(2)
H(16) .2703(16) .480(5)   .139(5)   .073(18)
H(17) .2651(17) .321(5)   .312(4)   .08(2)
H(18) .1975(17) .181(5)   .339(4)   .08(2)