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Re: Axial chirality [message #1066 is a reply to message #1065]

Fri, 11 September 2020 11:37

nbehrnd
Messages: 241
Registered: June 2019

Senior Member

Possibly the scrutiny for P/M in simpler biphenyls differs from the one in larger systems with axial chirality when structures are drawn in the sketcher from scratch:

index.php?t=getfile&id=269&private=0

As a bit lengthy work-around: I redrew two structures like the one drawn by you outside DW. After their export as .mol (including 3D coordinates), they were converted with openbabel into an .sdf in common. DW apparently recognized the chirality (both.dwar, attached):

index.php?t=getfile&id=271&private=0

Attachment: diff.png
(Size: 41.12KB, Downloaded 1532 times)
Attachment: both.dwar
(Size: 2.21KB, Downloaded 722 times)
Attachment: then3D.png
(Size: 34.81KB, Downloaded 1702 times)
Attachment: both.sdf
(Size: 7.32KB, Downloaded 721 times)

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[Message index]

		Axial chirality By: zhentg on Wed, 09 September 2020 02:46
		Re: Axial chirality By: nbehrnd on Fri, 11 September 2020 11:37
		Re: Axial chirality By: thomas on Sun, 13 September 2020 12:04
		Re: Axial chirality By: zhentg on Wed, 16 September 2020 02:07
		Re: Axial chirality By: thomas on Fri, 02 October 2020 11:37
		Re: Axial chirality By: zhentg on Wed, 16 September 2020 02:03

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