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Hoelite |
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Prakash A |
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Acta Crystallographica 22 (1967) 439-440 |
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Refinement of the crystal structure of anthraquinone |
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_database_code_amcsd 0009309 |
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15.810 3.942 7.895 90 102.72 90 P2_1/a |
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atom x y z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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C1 .1314 .417 .3985 .050 .640 .162 .030 -.002 -.026 |
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C2 .0507 .271 .3406 .046 .765 .138 .041 .025 -.016 |
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C3 .0277 .139 .1742 .032 .433 .167 .022 .030 .000 |
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C4 .0850 .155 .0616 .026 .488 .166 .033 .041 .032 |
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C5 .1662 .296 .1215 .033 .648 .219 -.019 .053 .046 |
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C6 .1894 .427 .2894 .043 .618 .211 .016 -.032 -.109 |
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C7 .0605 .014 -.1157 .033 .660 .152 .041 .051 .049 |
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O8 .1109 .023 -.2119 .044 1.503 .171 -.111 .081 -.190 |
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H1 .145 .514 .519 3.5 |
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H2 .007 .245 .416 3.5 |
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H5 .207 .323 .036 3.5 |
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H6 .246 .565 .337 3.5 |
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| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
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Hoelite |
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Murty B V R |
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Zeitschrift fur Kristallographie 113 (1960) 445-465 |
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Refinement of the structure of anthraquinone |
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_database_code_amcsd 0010586 |
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15.810 3.942 7.865 90 102.72 90 P2_1/a |
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atom x y z |
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CA' .1313 .418 .3968 |
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CB' .0515 .274 .3401 |
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CC' .0272 .142 .1729 |
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CE .0832 .153 .0623 |
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CF .1650 .298 .1202 |
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CG .1899 .432 .2853 |
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CD .0595 .013 -.1163 |
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O .1098 .026 -.2145 |
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HF .202 .324 .048 |
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HG .250 .584 .326 |
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HA' .150 .544 .512 |
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HB' .016 .278 .409 |
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| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
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