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zcy800204

金虫 (正式写手)

[交流] 呋喃环上氧原子和碳原子无序求助

一晶体中,呋喃环上氧原子和碳原子存在无序。
一般叔丁基无序描述为
The methyl group was found to be disordered over two orientations.
The occupancies of the disordered positions C1/C1', C2/C2' and C3/C3'
were refined to 0.875(14)/0.125(14). Suitable restraints were
applied to the C---C distances involving the disordered atoms.

该晶体中,呋喃环上O1和C15原子无序,占有率为0.53:0.47,那
exptl refinement 该怎样描叙呢?
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zcy800204

金虫 (正式写手)


paopaomeng(金币+1,VIP+0):鼓励一下 5-21 17:53
The O1 and C15 on furan ring was found to be disordered over two orientations.
The occupancies of the disordered positions O1/O', C15/C15'
were refined to 0.53/0.47, Suitable restraints were
applied to the C---O and C---C  distances involving the disordered atoms.
能不能这样写啊,嘿嘿


[ Last edited by zcy800204 on 2009-5-21 at 11:37 ]
2楼2009-05-21 07:52:07
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zhaoyangqufu

至尊木虫 (知名作家)

引用回帖:
Originally posted by zcy800204 at 2009-5-21 07:52:
The O1 and C15 on furan ring was found to be disordered over two orientations.
The occupancies of the disordered positions O1/C15',
were refined to 0.53/0.47, Suitable restraints were
applied t ...

学习了。
3楼2009-05-21 11:16:15
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lhxiao581

捐助贵宾 (正式写手)


zcy800204(金币+1,VIP+0): 5-22 21:48
可以参照陈晓明版的单晶解析课本里的例子
4楼2009-05-21 21:13:59
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zx53376876

木虫 (著名写手)

★ ★
waiy2001(金币+1,VIP+0):谢谢 5-22 12:57
zcy800204(金币+1,VIP+0): 5-22 21:48
你还是想想怎么确定你的占有率的?
小心人家提问啊
http://www.othello.cn/bbs/attachments/forumid_9/JY9e_1.gif
5楼2009-05-21 21:49:09
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zcy800204

金虫 (正式写手)

引用回帖:
Originally posted by zx53376876 at 2009-5-21 21:49:
你还是想想怎么确定你的占有率的?
小心人家提问啊

你这乌鸦嘴啊
6楼2009-05-23 10:04:08
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