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4022607
Actelion Java MolfileCreator 1.0
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6.3204 1.3860 -5.2752 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8106 -1.3860 -1.3544 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0193 0.1776 -5.7738 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1118 -0.1776 -0.8559 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0777 3.8007 -3.7166 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0534 -3.8007 -2.9131 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9224 2.8712 -4.3868 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2086 -2.8712 -2.2428 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7118 3.1253 -5.2513 C 0 0 0 0 0 0 0 0 0 0 0 0
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3.8134 3.7697 -6.4825 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3177 -3.7697 -0.1472 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6892 3.9660 -7.2648 C 0 0 0 0 0 0 0 0 0 0 0 0
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1.4348 3.5280 -6.8537 C 0 0 0 0 0 0 0 0 0 0 0 0
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0.2227 3.7367 -7.7308 C 0 0 0 0 0 0 0 0 0 0 0 0
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1.3441 2.8856 -5.6319 C 0 0 0 0 0 0 0 0 0 0 0 0
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3.8033 -1.4418 -2.1493 N 0 0 0 0 0 0 0 0 0 0 0 0
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3.0003 -3.5983 -1.8039 N 0 0 0 0 0 0 0 0 0 0 0 0
6.7982 2.5758 -5.6902 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3328 -2.5758 -0.9394 O 0 0 0 0 0 0 0 0 0 0 0 0
6.3547 -4.4101 1.4705 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7764 4.4101 -8.1001 H 0 0 0 0 0 0 0 0 0 0 0 0
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2.3851 2.2660 -3.9824 H 0 0 0 0 0 0 0 0 0 0 0 0
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7.3242 0.3202 -6.7046 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8069 -0.3202 0.0749 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7256 0.5990 -0.8672 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7216 4.4762 -3.1014 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4094 -4.4762 -3.5283 H 0 0 0 0 0 0 0 0 0 0 0 0
7.9384 4.1064 -4.0733 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1927 -4.1064 -2.5564 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2052 2.9559 -3.2359 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9259 -2.9559 -3.3937 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2719 3.1376 -8.5045 H 0 0 0 0 0 0 0 0 0 0 0 0
8.8592 -3.1376 1.8749 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1991 4.6683 -8.0398 H 0 0 0 0 0 0 0 0 0 0 0 0
8.9320 -4.6683 1.4101 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5891 3.5425 -7.2177 H 0 0 0 0 0 0 0 0 0 0 0 0
9.7201 -3.5425 0.5881 H 0 0 0 0 0 0 0 0 0 0 0 0
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M CHG 3 3 2 22 -1 23 -1
M END
> <COD_SDF_DATA_SOURCE_FILE>
4022607.cif
> <COD_SDF_DATA_SOURCE_BLOCK>
4022607
> <COD_SDF_SPACE_GROUP_IT_NUMBER>
14
> <COD_SDF_SOFTWARE_PACKAGE_NAME>
cif-perceive-chemistry
> <COD_SDF_SOFTWARE_PACKAGE_VERSION>
0.4.0
> <COD_SDF_CREATION_TIMESTAMP>
2022-12-08T22:33:01+02:00
> <COD_SDF_ISSUES>
> <COD_SDF_CIF_SVN_REVISION>
176432
> <COD_SDF_VALIDITY_STATUS>
1
> <PUBCHEM_EXT_DATASOURCE_REGID>
4022607
> <PUBCHEM_SUBSTANCE_COMMENT>
Jamal Lasri; M. Adilia Januario Charmier; Matti Haukka; Armando J. L. Pombeiro, (2007), Stereospecific Synthesis of Polysubstituted E-Olefins by Reaction of Acyclic Nitrones with Free and Platinum(II) Coordinated Organonitriles, Journal of Organic Chemistry, 72, 750-755, DOI:10.1021/jo061659b
> <PUBCHEM_EXT_DATASOURCE_URL>
https://www.crystallography.net/cod/
> <PUBCHEM_EXT_SUBSTANCE_URL>
https://www.crystallography.net/cod/4022607.html
$$$$
|
