Hoelite Diffraction data computed using the structute from the paper listed below, along with the cell parameters refined from single crystal data for R060874 Prakash A Acta Crystallographica 22 (1967) 439-440 Refinement of the crystal structure of anthraquinone CELL PARAMETERS: 15.8100 3.9420 7.8950 90.000 102.720 90.000 SPACE GROUP: P2_1/a ATOM X Y Z OCCUPANCY ISO(B) C 0.13140 0.41700 0.39850 1.000 43.534 C 0.05070 0.27100 0.34060 1.000 40.817 C 0.02770 0.13900 0.17420 1.000 31.317 C 0.08500 0.15500 0.06160 1.000 29.567 C 0.16620 0.29600 0.12150 1.000 38.740 C 0.18940 0.42700 0.28940 1.000 47.016 C 0.06050 0.01400 -0.11570 1.000 33.567 O 0.11090 0.02300 -0.21190 1.000 54.080 H 0.14500 0.51400 0.51900 1.000 3.500 H 0.00700 0.24500 0.41600 1.000 3.500 H 0.20700 0.32300 0.03600 1.000 3.500 H 0.24600 0.56500 0.33700 1.000 3.500 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 14 +/- 3 +/- 7 MAX. ABS. INTENSITY / VOLUME**2: 1.895614948 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 11.48 100.00 7.7110 2 0 0 11.49 63.86 7.7012 0 0 1 14.35 71.12 6.1706 -2 0 1 17.98 1.90 4.9330 2 0 1 23.07 4.10 3.8555 4 0 0 23.10 2.12 3.8506 0 0 2 23.29 13.18 3.8192 1 1 0 23.42 2.13 3.7986 -4 0 1 23.44 2.15 3.7951 -2 0 2 25.38 30.59 3.5099 2 1 0 25.38 23.01 3.5090 0 1 1 26.61 36.36 3.3496 1 1 1 28.53 6.99 3.1282 3 1 0 28.94 1.96 3.0853 -4 0 2 29.00 5.07 3.0795 2 1 1 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.