data_2000765
_journal_name_full  'Acta Cryst.'
_journal_year  1992
_journal_volume  C48
_journal_page_first  1272
_journal_page_last  1275
loop_
_publ_author_name
 'Ferguson, G.'
 'Gallagher, J.F.'
 'Glidewell, C.'
 'Low, J.N.'
 'Scrimgeour, S.N.'
_chemical_formula_sum  'C19 H16 O1'
_chemical_formula_weight  260.3
_symmetry_cell_setting  trigonal
_symmetry_space_group_name_H-M  'R -3 {hexagonal axes}'
_symmetry_space_group_name_Hall  '-R 3'
_cell_length_a  19.307(3)
_cell_length_b  19.307(3)
_cell_length_c  26.735(4)
_cell_angle_alpha  90
_cell_angle_beta  90
_cell_angle_gamma  120
_cell_volume  8631(2)
_cell_formula_units_Z  24
_exptl_crystal_density_diffrn  1.20
_exptl_crystal_density_meas  ?
_exptl_crystal_F_000  3312
_exptl_absorpt_coefficient_mu  0.07
_diffrn_radiation_type  Mo
_diffrn_radiation_wavelength  0.71073
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
 O1 .0 .0 .3204(4)
 C1 .0 .0 .3746(6)
 O2 -.0975(4) -.0297(5) .2325(3)
 C2 -.1757(6) -.0525(6) .2139(3)
 O3 .0 .0 .1908(12)
 C3 .0 .0 .1368(15)
 O4 -.0723(12) -.0962(13) .2750(8)
 C4 -.1315(15) -.1788(15) .2906(9)
 C11 -.0597(4) -.0836(3) .3921(3)
 C12 -.1313(4) -.1276(4) .3659(2)
 C13 -.1887(3) -.2032(4) .3829(3)
 C14 -.1745(4) -.2347(3) .4261(3)
 C15 -.1029(5) -.1907(5) .4523(2)
 C16 -.0456(4) -.1152(4) .4353(3)
 C21 -.2336(4) -.1369(4) .2304(3)
 C22 -.2070(4) -.1919(5) .2336(3)
 C23 -.2602(6) -.2710(5) .2469(3)
 C24 -.3400(5) -.2951(4) .2570(3)
 C25 -.3666(4) -.2401(5) .2538(3)
 C26 -.3135(5) -.1610(5) .2404(3)
 C31 -.1994(4) .0062(4) .2332(3)
 C32 -.2361(5) .0377(5) .2033(2)
 C33 -.2575(5) .0910(5) .2236(3)
 C34 -.2421(5) .1127(5) .2739(3)
 C35 -.2054(6) .0812(5) .3038(2)
 C36 -.1840(5) .0279(5) .2835(3)
 C41 -.1701(4) -.0469(4) .1571(2)
 C42 -.2336(4) -.1022(4) .1278(3)
 C43 -.2310(5) -.0932(6) .0760(3)
 C44 -.1650(6) -.0291(6) .0534(2)
 C45 -.1015(5) .0262(5) .0827(3)
 C46 -.1040(4) .0173(4) .1346(3)
 C51 -.0764(8) -.0149(11) .1234(7)
 C52 -.1446(11) -.0745(11) .1472(5)
 C53 -.2181(9) -.1103(8) .1224(5)
 C54 -.2232(8) -.0866(9) .0739(5)
 C55 -.1550(10) -.0270(10) .0502(5)
 C56 -.0815(8) .0088(9) .0750(7)
 C61 -.2146(9) -.1967(12) .2718(7)
 C62 -.2283(12) -.1325(9) .2760(7)
 C63 -.3033(15) -.1427(12) .2644(8)
 C64 -.3646(10) -.2171(15) .2486(8)
 C65 -.3510(10) -.2814(10) .2443(7)
 C66 -.2760(11) -.2711(10) .2560(6)
 C71 -.1054(12) -.2359(12) .2699(9)
 C72 -.0935(14) -.2313(13) .2183(9)
 C73 -.0767(15) -.2855(17) .1943(6)
 C74 -.0719(14) -.3442(14) .2219(10)
 C75 -.0838(13) -.3488(12) .2736(10)
 C76 -.1006(12) -.2947(14) .2975(6)
 C81 -.1297(12) -.1783(12) .3498(5)
 C82 -.0589(9) -.1273 .3750(6)
 C83 -.0558(9) -.1299(10) .4270(6)
 C84 -.1236(12) -.1836(12) .4539(5)
 C85 -.1944(10) -.2346(11) .4288(7)
 C86 -.1974(9) -.2319(11) .3767(7)
 H12 -.1410 -.1062 .3365
 H13 -.2374 -.2332 .3651
 H14 -.2136 -.2862 .4377
 H15 -.0933 -.2122 .4817
 H16 .0032 -.0852 .4531
 H22 -.1527 -.1754 .2268
 H23 -.2420 -.2085 .2492
 H24 -.3762 -.3490 .2661
 H25 -.4210 -.2565 .2606
 H26 -.3316 -.1235 .2382
 H32 -.2466 .0229 .1690
 H33 -.2825 .1125 .2032
 H34 -.2567 .1490 .2877
 H35 -.1950 .0960 .3381
 H36 -.1590 .0065 .3039
 H42 -.2786 -.1459 .1432
 H43 -.2743 -.1309 .0560
 H44 -.1632 -.0230 .0181
 H45 -.0565 .0699 .0673
 H46 -.0608 .0549 .1545
 H52 -.1411 -.0906 .1802
 H53 -.2645 -.1508 .1386
 H54 -.2732 -.1110 .0571
 H55 -.1585 -.0108 .0172
 H56 -.0251 .0494 .0588
 H62 -.1865 -.0818 .2868
 H63 -.3126 -.0990 .2673
 H64 -.4157 -.2241 .2406
 H65 -.3927 -.3321 .2335
 H66 -.2667 -.3149 .2531
 H72 -.0967 -.1913 .1994
 H73 -.0686 -.2823 .1591
 H74 -.0605 -.3810 .2056
 H75 -.0806 -.3888 .2924
 H76 -.1087 -.2978 .327
 H82 -.0127 -.0907 .3567
 H83 -.0076 -.0952 .4442
 H84 -.1215 -.1853 .4894
 H85 -.1405 -.2711 .4471
 H86 -.2457 -.2667 .3596