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1506453
Actelion Java MolfileCreator 1.0
21 20 0 0 0 0 0 0 0 0999 V2000
3.6415 -5.3723 -3.9194 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3844 -5.3199 -2.5753 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3362 -5.3680 -3.4558 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2883 -5.3425 -4.5593 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6127 -5.1642 -1.0361 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0873 -5.1401 -2.0764 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0801 -5.4084 -8.1518 I 0 0 0 0 0 0 0 0 0 0 0 0
1.8181 -5.3506 -7.5904 I 0 0 0 0 0 0 0 0 0 0 0 0
4.6338 -5.4004 -5.2778 S 0 0 0 0 0 0 0 0 0 0 0 0
3.8098 -5.2316 -0.9381 S 0 0 0 0 0 0 0 0 0 0 0 0
0.6906 -5.3805 -3.7646 S 0 0 0 0 0 0 0 0 0 0 0 0
-3.9062 -5.3803 -8.7441 I 0 0 0 0 0 0 0 0 0 0 0 0
6.9547 -5.3072 -5.2770 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4360 -6.1438 -4.0159 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9400 -5.9201 -1.5671 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9907 -5.2123 -0.1328 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8856 -4.3247 -1.4603 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4015 -5.8762 -1.5091 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4275 -4.2907 -1.7258 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3713 -4.5456 -3.9962 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8915 -5.1260 -2.0774 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
1 3 1 0 0 0 0
1 9 1 0 0 0 0
2 3 2 0 0 0 0
2 10 1 0 0 0 0
3 11 1 0 0 0 0
4 9 1 0 0 0 0
7 12 1 0 0 0 0
7 8 1 0 0 0 0
6 11 1 0 0 0 0
5 10 1 0 0 0 0
5 15 1 0 0 0 0
5 16 1 0 0 0 0
5 17 1 0 0 0 0
4 14 1 0 0 0 0
6 18 1 0 0 0 0
6 19 1 0 0 0 0
6 21 1 0 0 0 0
4 13 1 0 0 0 0
4 20 1 0 0 0 0
M CHG 2 1 1 7 -1
M END
> <COD_SDF_DATA_SOURCE_FILE>
1506453.cif
> <COD_SDF_DATA_SOURCE_BLOCK>
1506453
> <COD_SPACE_GROUP_IT_NUMBER>
14
> <COD_SOFTWARE_PACKAGE_NAME>
cif-perceive-chemistry
> <COD_SOFTWARE_PACKAGE_VERSION>
0.3.0
> <COD_SDF_CREATION_TIMESTAMP>
2022-09-07T03:42:12+03:00
> <COD_SDF_ISSUES>
> <COD_CIF_SVN_REVISION>
176729
> <COD_STRUCTURE_VALIDITY_STATUS>
1
> <PUBCHEM_EXT_DATASOURCE_REGID>
1506453
> <PUBCHEM_SUBSTANCE_SYNONYM>
24_in_paper
> <PUBCHEM_SUBSTANCE_COMMENT>
Werz, Daniel B.; Schuster, Andreea; Gleiter, Rolf; Rominger, Frank, (2005), Sterically stabilized cyclopropenonophanes and an electronically stabilized cyclopropenethionophane: syntheses, structural properties, and reactivity., Organic letters, 7, 5, 917-920, DOI:10.1021/ol047317e
> <PUBCHEM_EXT_DATASOURCE_URL>
https://www.crystallography.net/cod/
> <PUBCHEM_EXT_SUBSTANCE_URL>
https://www.crystallography.net/cod/1506453.html
$$$$
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