{\rtf\ansi
{\fonttbl{\f1\froman Times New Roman;}{\f2\ftech Symbol;}}
{\info{\title TABLES}{\author Alex Yokochi & George SheldrickSouthampton Version: Thomas Gelbrich}}
\margl1440\margr1440\pard\plain\sl360
\tx4240\tx6800\tx8500\tx10200\tx11900\f1
{\fs18 Table 1.
===B Crystal=== \par
\par
Identification code \tab 00src046    \par
Empirical formula \tab ;;; C26 H30 O9;;;\par
Formula weight \tab 486.50\par
Temperature \tab 150(2) K\par
Wavelength \tab 0.71073 \'c5\par
Crystal system \tab Orthorhombic\par
Space group \tab ;%; P2(1)2(1)2(1);%; \par
Unit cell dimensions\tab a = 8.3420(17) \'c5\tab\ab a= 90\'b0\par
\tab b = 12.846(3) \'c5\tab\ab b= 90\'b0\par
\tab c = 22.736(5) \'c5\tab\ab g = 90\'b0\par
Volume\tab 2436.3(8) \'c5}{\fs12 3}{\fs18\par
Z\tab 4\par
Density (calculated)\tab 1.326 Mg / m}{\fs12 3}{\fs18 \par
Absorption coefficient\tab 0.100 mm{\fs12 !1}\par
F(000)\tab 1032\par
Crystal\tab block; colourless\par
Crystal size\tab 0.4 x 0.25 x 0.15 mm}{\fs12 3}{\fs18\par
Theta range for data collection\tab 2.91 - 30.40\'b0\par
Index ranges\tab -9 <= h <= 11, -17 <= k <= 17, -31 <= l <= 31\par
Reflections collected\tab 15872\par
Independent reflections\tab 5979 [R(int) = 0.0443]\par
Completeness to theta = 30.40{\'b0}\tab 87.8 % \par
Absorption correction\tab Semi-empirical from equivalents\par
Max. and min. transmission\tab 1.0 and 0.880\par
Refinement method\tab Full-matrix least-squares on F}{\fs12 2}{\fs18\par
Data / restraints / parameters\tab 5979 / 0 / 322\par
Goodness-of-fit on F}{\fs12 2}{\fs18\tab 0.880\par
Final R indices [F}{\fs12 2}{\fs18  > 2sigma(F}{\fs12 2}{\fs18)]\tab R1 = 0.0456, wR2 = 0.1121\par
R indices (all data)\tab R1 = 0.0687, wR2 = 0.1290\par
Absolute structure parameter\tab -0.1(8)\par
Largest diff. peak and hole\tab 0.186 and -0.244 e \'c5}{\fs12 !3}\par\fs18
===E Crystal=== \par
{\par\page}
{\fs18 Table 2.===B Coord===
\pard\sl360\tqc\tx1200\tqc\tx2400\tqc\tx3600
\tqc\tx4800\tqc\tx6000\tqc\tx7200\tx8400
\par
O(1);;\tab 2231(2)\tab 7923(1)\tab -1228(1)\tab 41(1)\tab 1\par
O(2);;\tab 305(2)\tab 6535(1)\tab -798(1)\tab 35(1)\tab 1\par
O(3);;\tab 5629(2)\tab 2617(1)\tab -247(1)\tab 32(1)\tab 1\par
O(4);;\tab 1171(2)\tab 5495(1)\tab 2677(1)\tab 43(1)\tab 1\par
O(5);;\tab 2129(2)\tab 7139(1)\tab 2137(1)\tab 41(1)\tab 1\par
O(6);;\tab 4025(2)\tab 2555(1)\tab 1681(1)\tab 31(1)\tab 1\par
O(7);;\tab 2772(2)\tab 1138(1)\tab 1331(1)\tab 47(1)\tab 1\par
O(8);;\tab 6330(2)\tab 3396(1)\tab 938(1)\tab 27(1)\tab 1\par
O(9);;\tab 6987(2)\tab 1740(1)\tab 1197(1)\tab 43(1)\tab 1\par
C(1);;\tab 3229(3)\tab 8729(2)\tab -1444(1)\tab 61(1)\tab 1\par
C(2);;\tab -752(3)\tab 5762(2)\tab -573(1)\tab 45(1)\tab 1\par
C(3);;\tab 2891(2)\tab 7265(1)\tab -818(1)\tab 29(1)\tab 1\par
C(4);;\tab 1835(2)\tab 6525(1)\tab -580(1)\tab 26(1)\tab 1\par
C(5);;\tab 2364(2)\tab 5854(1)\tab -145(1)\tab 26(1)\tab 1\par
C(6);;\tab 3959(2)\tab 5881(1)\tab 52(1)\tab 24(1)\tab 1\par
C(7);;\tab 4988(2)\tab 6598(1)\tab -195(1)\tab 28(1)\tab 1\par
C(8);;\tab 4464(2)\tab 7289(1)\tab -629(1)\tab 31(1)\tab 1\par
C(9);;\tab 4521(2)\tab 5092(1)\tab 505(1)\tab 25(1)\tab 1\par
C(10);;\tab 4355(2)\tab 3999(1)\tab 255(1)\tab 23(1)\tab 1\par
C(11);;\tab 5387(2)\tab 3728(1)\tab -276(1)\tab 29(1)\tab 1\par
C(12);;\tab 4818(2)\tab 2221(1)\tab 266(1)\tab 28(1)\tab 1\par
C(13);;\tab 4766(2)\tab 3133(1)\tab 691(1)\tab 25(1)\tab 1\par
C(14);;\tab 3503(2)\tab 3157(1)\tab 1178(1)\tab 24(1)\tab 1\par
C(15);;\tab 3180(2)\tab 4257(1)\tab 1396(1)\tab 25(1)\tab 1\par
C(16);;\tab 2348(2)\tab 4356(2)\tab 1933(1)\tab 29(1)\tab 1\par
C(17);;\tab 1983(2)\tab 5321(2)\tab 2162(1)\tab 30(1)\tab 1\par
C(18);;\tab 1030(4)\tab 4644(2)\tab 3072(1)\tab 59(1)\tab 1\par
C(19);;\tab 2478(2)\tab 6220(1)\tab 1861(1)\tab 30(1)\tab 1\par
C(20);;\tab 2872(4)\tab 8049(2)\tab 1910(1)\tab 58(1)\tab 1\par
C(21);;\tab 3273(2)\tab 6129(1)\tab 1329(1)\tab 28(1)\tab 1\par
C(22);;\tab 3620(2)\tab 5146(1)\tab 1089(1)\tab 25(1)\tab 1\par
C(23);;\tab 3619(3)\tab 1542(2)\tab 1693(1)\tab 33(1)\tab 1\par
C(24);;\tab 4401(3)\tab 1003(2)\tab 2197(1)\tab 50(1)\tab 1\par
C(25);;\tab 7270(2)\tab 2651(2)\tab 1195(1)\tab 31(1)\tab 1\par
C(26);;\tab 8723(3)\tab 3135(2)\tab 1463(1)\tab 39(1)\tab 1\par
===E Coord=== \page}
\pard \sl360\tqdec\tx2880\tx11900
{\fs18 Table 3. ===B Bond===
\par
O(1)-C(3);;\tab 1.372(2)\par
O(1)-C(1);;\tab 1.417(3)\par
O(2)-C(4);;\tab 1.369(2)\par
O(2)-C(2);;\tab 1.422(3)\par
O(3)-C(12);;\tab 1.440(2)\par
O(3)-C(11);;\tab 1.442(2)\par
O(4)-C(17);;\tab 1.371(2)\par
O(4)-C(18);;\tab 1.420(3)\par
O(5)-C(19);;\tab 1.368(2)\par
O(5)-C(20);;\tab 1.420(3)\par
O(6)-C(23);;\tab 1.345(2)\par
O(6)-C(14);;\tab 1.448(2)\par
O(7)-C(23);;\tab 1.202(3)\par
O(8)-C(25);;\tab 1.368(2)\par
O(8)-C(13);;\tab 1.461(2)\par
O(9)-C(25);;\tab 1.194(2)\par
C(3)-C(8);;\tab 1.381(3)\par
C(3)-C(4);;\tab 1.405(3)\par
C(4)-C(5);;\tab 1.385(3)\par
C(5)-C(6);;\tab 1.404(3)\par
C(6)-C(7);;\tab 1.379(3)\par
C(6)-C(9);;\tab 1.518(2)\par
C(7)-C(8);;\tab 1.397(3)\par
C(9)-C(10);;\tab 1.521(2)\par
C(9)-C(22);;\tab 1.529(2)\par
C(10)-C(11);;\tab 1.523(2)\par
C(10)-C(13);;\tab 1.528(2)\par
C(12)-C(13);;\tab 1.519(2)\par
C(13)-C(14);;\tab 1.530(2)\par
C(14)-C(15);;\tab 1.521(2)\par
C(15)-C(22);;\tab 1.387(2)\par
C(15)-C(16);;\tab 1.410(3)\par
C(16)-C(17);;\tab 1.378(3)\par
C(17)-C(19);;\tab 1.405(3)\par
C(19)-C(21);;\tab 1.384(3)\par
C(21)-C(22);;\tab 1.406(2)\par
C(23)-C(24);;\tab 1.489(3)\par
C(25)-C(26);;\tab 1.492(3)\par
\par
C(3)-O(1)-C(1);;\tab 116.74(18)\par
C(4)-O(2)-C(2);;\tab 116.17(15)\par
C(12)-O(3)-C(11);;\tab 108.74(13)\par
C(17)-O(4)-C(18);;\tab 117.06(16)\par
C(19)-O(5)-C(20);;\tab 116.80(16)\par
C(23)-O(6)-C(14);;\tab 117.15(15)\par
C(25)-O(8)-C(13);;\tab 121.01(14)\par
O(1)-C(3)-C(8);;\tab 125.40(17)\par
O(1)-C(3)-C(4);;\tab 115.27(17)\par
C(8)-C(3)-C(4);;\tab 119.33(17)\par
O(2)-C(4)-C(5);;\tab 124.16(17)\par
O(2)-C(4)-C(3);;\tab 116.00(16)\par
C(5)-C(4)-C(3);;\tab 119.83(17)\par
C(4)-C(5)-C(6);;\tab 120.92(17)\par
C(7)-C(6)-C(5);;\tab 118.51(16)\par
C(7)-C(6)-C(9);;\tab 121.94(16)\par
C(5)-C(6)-C(9);;\tab 119.48(16)\par
C(6)-C(7)-C(8);;\tab 121.12(17)\par
C(3)-C(8)-C(7);;\tab 120.25(17)\par
C(6)-C(9)-C(10);;\tab 109.60(13)\par
C(6)-C(9)-C(22);;\tab 114.03(14)\par
C(10)-C(9)-C(22);;\tab 108.73(14)\par
C(9)-C(10)-C(11);;\tab 117.05(15)\par
C(9)-C(10)-C(13);;\tab 114.21(13)\par
C(11)-C(10)-C(13);;\tab 102.74(14)\par
O(3)-C(11)-C(10);;\tab 105.59(14)\par
O(3)-C(12)-C(13);;\tab 104.77(14)\par
O(8)-C(13)-C(12);;\tab 113.39(14)\par
O(8)-C(13)-C(10);;\tab 106.38(13)\par
C(12)-C(13)-C(10);;\tab 98.98(13)\par
O(8)-C(13)-C(14);;\tab 109.35(13)\par
C(12)-C(13)-C(14);;\tab 119.75(15)\par
C(10)-C(13)-C(14);;\tab 107.49(14)\par
O(6)-C(14)-C(15);;\tab 106.97(13)\par
O(6)-C(14)-C(13);;\tab 110.76(14)\par
C(15)-C(14)-C(13);;\tab 112.14(14)\par
C(22)-C(15)-C(16);;\tab 119.44(16)\par
C(22)-C(15)-C(14);;\tab 123.61(15)\par
C(16)-C(15)-C(14);;\tab 116.93(15)\par
C(17)-C(16)-C(15);;\tab 121.14(17)\par
O(4)-C(17)-C(16);;\tab 125.38(17)\par
O(4)-C(17)-C(19);;\tab 115.26(16)\par
C(16)-C(17)-C(19);;\tab 119.36(16)\par
O(5)-C(19)-C(21);;\tab 125.09(17)\par
O(5)-C(19)-C(17);;\tab 115.09(16)\par
C(21)-C(19)-C(17);;\tab 119.82(16)\par
C(19)-C(21)-C(22);;\tab 120.89(17)\par
C(15)-C(22)-C(21);;\tab 119.29(16)\par
C(15)-C(22)-C(9);;\tab 122.02(15)\par
C(21)-C(22)-C(9);;\tab 118.66(15)\par
O(7)-C(23)-O(6);;\tab 123.57(19)\par
O(7)-C(23)-C(24);;\tab 125.64(19)\par
O(6)-C(23)-C(24);;\tab 110.77(18)\par
O(9)-C(25)-O(8);;\tab 125.03(18)\par
O(9)-C(25)-C(26);;\tab 124.58(18)\par
O(8)-C(25)-C(26);;\tab 110.37(17)\par
===E Bond===
\par
Symmetry transformations used to generate equivalent atoms: \par
 \par
===E Bond===
\par \page}
\pard\sl360\tqc\tx1200\tqc\tx2400\tqc\tx3600
\tqc\tx4800\tqc\tx6000\tqc\tx7200\tx8400
{\fs18 Table 4. ===B Anis===
 \par
O(1);;\tab 42(1) \tab 38(1)\tab 43(1) \tab 17(1)\tab -7(1) \tab -1(1)\par
O(2);;\tab 29(1) \tab 33(1)\tab 42(1) \tab 8(1)\tab -10(1) \tab -1(1)\par
O(3);;\tab 35(1) \tab 31(1)\tab 29(1) \tab -2(1)\tab 8(1) \tab 4(1)\par
O(4);;\tab 58(1) \tab 42(1)\tab 29(1) \tab -4(1)\tab 17(1) \tab -2(1)\par
O(5);;\tab 56(1) \tab 32(1)\tab 34(1) \tab -7(1)\tab 14(1) \tab -2(1)\par
O(6);;\tab 35(1) \tab 32(1)\tab 25(1) \tab 5(1)\tab -6(1) \tab -3(1)\par
O(7);;\tab 60(1) \tab 35(1)\tab 46(1) \tab 3(1)\tab -16(1) \tab -9(1)\par
O(8);;\tab 20(1) \tab 31(1)\tab 29(1) \tab 3(1)\tab -5(1) \tab 0(1)\par
O(9);;\tab 40(1) \tab 38(1)\tab 52(1) \tab 9(1)\tab -11(1) \tab 5(1)\par
C(1);;\tab 61(2) \tab 56(2)\tab 66(2) \tab 34(1)\tab -13(1) \tab -16(1)\par
C(2);;\tab 31(1) \tab 47(1)\tab 59(1) \tab 13(1)\tab -13(1) \tab -7(1)\par
C(3);;\tab 34(1) \tab 27(1)\tab 26(1) \tab 3(1)\tab -2(1) \tab 2(1)\par
C(4);;\tab 25(1) \tab 27(1)\tab 28(1) \tab -1(1)\tab -3(1) \tab 2(1)\par
C(5);;\tab 24(1) \tab 28(1)\tab 25(1) \tab 2(1)\tab 2(1) \tab 1(1)\par
C(6);;\tab 25(1) \tab 26(1)\tab 21(1) \tab -3(1)\tab 1(1) \tab 3(1)\par
C(7);;\tab 25(1) \tab 30(1)\tab 28(1) \tab -1(1)\tab -1(1) \tab -1(1)\par
C(8);;\tab 32(1) \tab 30(1)\tab 31(1) \tab 6(1)\tab 3(1) \tab -4(1)\par
C(9);;\tab 20(1) \tab 29(1)\tab 25(1) \tab 0(1)\tab 1(1) \tab 0(1)\par
C(10);;\tab 21(1) \tab 28(1)\tab 21(1) \tab -1(1)\tab -1(1) \tab 1(1)\par
C(11);;\tab 31(1) \tab 30(1)\tab 27(1) \tab 0(1)\tab 4(1) \tab 5(1)\par
C(12);;\tab 27(1) \tab 29(1)\tab 29(1) \tab -1(1)\tab 1(1) \tab 1(1)\par
C(13);;\tab 21(1) \tab 29(1)\tab 26(1) \tab 0(1)\tab -2(1) \tab -1(1)\par
C(14);;\tab 24(1) \tab 29(1)\tab 20(1) \tab 3(1)\tab -3(1) \tab 0(1)\par
C(15);;\tab 23(1) \tab 32(1)\tab 21(1) \tab -1(1)\tab -2(1) \tab -2(1)\par
C(16);;\tab 29(1) \tab 33(1)\tab 23(1) \tab 0(1)\tab 1(1) \tab -4(1)\par
C(17);;\tab 31(1) \tab 38(1)\tab 21(1) \tab -3(1)\tab 2(1) \tab -3(1)\par
C(18);;\tab 91(2) \tab 53(1)\tab 33(1) \tab -1(1)\tab 29(1) \tab -16(1)\par
C(19);;\tab 33(1) \tab 34(1)\tab 24(1) \tab -6(1)\tab 1(1) \tab 1(1)\par
C(20);;\tab 88(2) \tab 32(1)\tab 56(1) \tab -5(1)\tab 33(2) \tab -3(1)\par
C(21);;\tab 31(1) \tab 30(1)\tab 23(1) \tab -2(1)\tab -1(1) \tab -1(1)\par
C(22);;\tab 24(1) \tab 30(1)\tab 22(1) \tab 0(1)\tab -2(1) \tab 1(1)\par
C(23);;\tab 37(1) \tab 32(1)\tab 29(1) \tab 3(1)\tab 2(1) \tab -3(1)\par
C(24);;\tab 63(2) \tab 44(1)\tab 43(1) \tab 15(1)\tab -11(1) \tab -3(1)\par
C(25);;\tab 27(1) \tab 37(1)\tab 30(1) \tab 4(1)\tab -2(1) \tab 4(1)\par
C(26);;\tab 29(1) \tab 53(1)\tab 34(1) \tab 1(1)\tab -9(1) \tab 2(1)\par
===E ANIS===
\page}
\pard\sl360\tqc\tx1200\tqc\tx2400\tqc\tx3600
\tqc\tx4800\tqc\tx6000\tqc\tx7200\tx8400
\par
{\fs18Table 5. ===B Hydr===
\pard\sl360\tqc\tx1200\tqc\tx2400\tqc\tx3600
\tqc\tx4800\tqc\tx6000\tqc\tx7200\tx8400
\par
H(1A);;\tab 3692\tab 9101\tab -1120\tab 91\tab 1\par
H(1B);;\tab 2604\tab 9198\tab -1680\tab 91\tab 1\par
H(1C);;\tab 4068\tab 8433\tab -1680\tab 91\tab 1\par
H(2A);;\tab -316\tab 5084\tab -650\tab 68\tab 1\par
H(2B);;\tab -1778\tab 5826\tab -761\tab 68\tab 1\par
H(2C);;\tab -874\tab 5856\tab -157\tab 68\tab 1\par
H(5);;\tab 1653\tab 5378\tab 20\tab 31\tab 1\par
H(7);;\tab 6050\tab 6621\tab -71\tab 33\tab 1\par
H(8);;\tab 5176\tab 7767\tab -790\tab 37\tab 1\par
H(9);;\tab 5660\tab 5220\tab 583\tab 30\tab 1\par
H(10);;\tab 3232\tab 3906\tab 139\tab 28\tab 1\par
H(11A);;\tab 4846\tab 3917\tab -638\tab 35\tab 1\par
H(11B);;\tab 6405\tab 4091\tab -258\tab 35\tab 1\par
H(12A);;\tab 5405\tab 1641\tab 435\tab 34\tab 1\par
H(12B);;\tab 3744\tab 1990\tab 168\tab 34\tab 1\par
H(14);;\tab 2502\tab 2860\tab 1027\tab 29\tab 1\par
H(16);;\tab 2040\tab 3760\tab 2136\tab 34\tab 1\par
H(18A);;\tab 401\tab 4104\tab 2893\tab 88\tab 1\par
H(18B);;\tab 516\tab 4872\tab 3427\tab 88\tab 1\par
H(18C);;\tab 2077\tab 4379\tab 3163\tab 88\tab 1\par
H(20A);;\tab 4002\tab 7929\tab 1866\tab 87\tab 1\par
H(20B);;\tab 2701\tab 8618\tab 2176\tab 87\tab 1\par
H(20C);;\tab 2416\tab 8214\tab 1534\tab 87\tab 1\par
H(21);;\tab 3582\tab 6727\tab 1128\tab 33\tab 1\par
H(24A);;\tab 3804\tab 388\tab 2294\tab 75\tab 1\par
H(24B);;\tab 4427\tab 1461\tab 2530\tab 75\tab 1\par
H(24C);;\tab 5475\tab 813\tab 2090\tab 75\tab 1\par
H(26A);;\tab 9214\tab 2650\tab 1729\tab 58\tab 1\par
H(26B);;\tab 8418\tab 3751\tab 1674\tab 58\tab 1\par
H(26C);;\tab 9470\tab 3316\tab 1159\tab 58\tab 1\par
===E Hydr===
\page}
}