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wqq6019181

木虫 (小有名气)

[求助] 求助B类错误一个PLAT035_ALERT_1_B No _chemical_absolute_configuration info

求助
PLAT035_ALERT_1_B No _chemical_absolute_configuration info given .          ?这个错误怎么消除
谢谢各位啦~~~~~~~~~~~
PLAT035 Type_1 Check for _chemical_absolute_configuration的解释如下,没看懂
Options are 'rm', 'ad', 'rmad', 'syn', 'unk' or '.'
                     
rm   : absolute configuration established by the structure determination
        of a compound containing a chiral reference molecule of known
        absolute configuration.
ad   : absolute configuration established by anomalous dispersion effects
        in diffraction measurements on the crystal.
rmad : absolute configuration established by the structure determination
        of a compound containing a chiral reference molecule of known
        absolute configuration and confirmed by anomalous dispersion
        effects in diffraction measurements on the crystal.
syn  : absolute configuration has not been established by anomalous
        dispersion effects in diffraction measurements on the crystal.
        The enantiomer has been assigned by reference to an unchanging
        chiral centre in the synthetic procedure.
unk  : absolute configuration is unknown, there being no firm chemical
        evidence for its assignment to hand and it having not been
        established by anomalous dispersion effects in diffraction
        measurements on the crystal. An arbitrary choice of enantiomer
        has been made.
.    : inapplicable.
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yzgdwjh

木虫 (正式写手)

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drg1984(金币+1): 感谢发帖交流! 2011-08-28 09:55:44
wqq6019181(金币+1): 谢谢你,呵呵 2011-08-30 08:19:03
引用回帖:
5楼: Originally posted by yzgdwjh at 2011-08-25 17:04:42:
rm: 得到单晶之前已知手性
ad:绝对构型通过flack常数来确定(Mo靶要求结构中有比P重的原子)
rmad: 以上两者兼而有之
syn:绝对构型没有通过反常散射(flack常数)来确定,手性比例跟合成原料相一致,要求原料 ...

其实这部分信息你在结构解好后是应该完全掌握的,你只需要把你所知道的填上即可(论文中也应该予以说明),对于手性化合物,这一点应该说是至关重要。
6楼2011-08-26 09:28:58
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hjh509

铁杆木虫 (职业作家)

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wqq6019181(金币+1): 不好意思,呵呵,怎么看手性,我不懂呢?这个B类错误要紧不?怎么解决呀,谢谢啦~~~ 2011-08-25 14:50:13
drg1984(金币+1): 感谢发帖交流! 2011-08-28 09:55:22
你的化合物是手性的吧?
111
2楼2011-08-25 14:46:57
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wqq6019181

木虫 (小有名气)

引用回帖:
2楼: Originally posted by hjh509 at 2011-08-25 14:46:57:
你的化合物是手性的吧?

不好意思,呵呵,怎么看手性,我不懂呢?这个B类错误要紧不?怎么解决呀,谢谢啦~~~
3楼2011-08-25 14:50:26
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今天9088

金虫 (小有名气)

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wqq6019181(金币+1): 是晶体,金属铜的配合物 2011-08-25 19:33:14
drg1984(金币+1): 感谢发帖交流! 2011-08-28 09:55:33
你用的什么放射源,你的化合物是纯有机化合物还是配合物?
从零开始奋斗!
4楼2011-08-25 16:43:47
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