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ͶActa Crystallographica Section E£¬¸ø»¯ºÏÎïÃüÃû£¬±à¼­×Ü˵²»¶Ô£¬ÎÒÓÃchemDrawÃüÃûµÄ£¬ËûÕâÑù»Ø¸´µÄ¡±Chemical and crystallographic numbering should be in agreement wherever possible.
It means the following: if you write "5-hydroxy-8-metoxy..." then the atoms carrying hydroxy and metoxy groups should be labelled as C5 and C8 respectively.
If you write "3aS" then the corresponding atom in the CIF should be labelled as C3A.
This helps the reader to understand the structure. ¡°
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