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Zeitschrift für Kristallographie 203, 126-128 © by R. Oldenbourg Verlag, München 1993 (1993) 0044-2968/93 $3.00 + 0.00 Crystal structure of l'^'^'^'-tetrahydronaphthaleno [ 1 ',2'e] -3,3-dimethyl-1,2,4-trioxine, Ci3H1603 G. Bernardinelli Laboratoire de Cristallographie, 24 quai Ernest-Ansermet, CH-1211 Geneva, Switzerland and C. W. Jefford, T. Hatsui and M. F. Deheza Departement de Chimie Organique, 30 quai Ernest-Ansermet, CH-1211 Geneva 4, Switzerland (Received February 14, 1992) Source of material : see réf. 1. Monoclinic, P12,/cl (no 14), 106.740(9)°, Â3, 4, R 8.926(1), b 0.075. 10.040(2), 13.793(4) Â, ß l'2'3'4'tetrahydiOnaphthaleno[1'2']-3,3-dimethyl-l,2,4-trioxine Table 1. Parameters used for the X-ray data collection Number of unique reflections: 1105 Criterion for unobserved reflections: F,, < 4<t(F,,) Number of refined 145 parameters : Scan mode: <»-20scan 0.81 cm"1 µ: Structure solution Multan 87 XTAL3.0 program used : Diffractometer type: Wave length : Philips PW1100 Mo Crystal characteristics: Temperature of measurement: colourless prism, size 0.08x0.18x0.18 mm 293 40° (0.7107 Â) Ka radiation 20,,,,,: Table 2. Final atomic coordinates and Atom displacement parameters (in Â2) uiI0/u, u22 uI2 U13 0.007(6) 0.034(7) 0.015(6) 0.01(1) 0.016(9) 0.025(9) 0.011(9) 0.03(1) 0.02(1) 0.03(1) 0.01(1) u23 0.004(7) 0.018(9) 0.008(7) -0.01(1) 0.01(1) 0.010(9) -0.002(9) -0.01(1) -0.01(1) 0.02(1) -0.00(1) -0.009(9) 0.00(1) 0.01(1) 0.03(1) 0.02(1) 0(1) 0(2) 0.438(1) 0(3)
Zeitschrift für Kristallographie - Crystalline Materials – de Gruyter
Published: Jan 1, 1993
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