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求大神帮忙推出结构中SQUEEZE掉的残余分子,非常感谢!

作者 zouxz0524
来源: 小木虫 150 3 举报帖子
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求大神帮忙重新解析,推出结构中SQUEEZE掉的残余分子,非常感谢!C51.73,H4.37, N14.9

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  • mfdsrax2

    从晶体数据是推不出SQUEEZE的分子的,既然你有元素分析和分子式,完全可以自己推

  • 羊倌

    Alert level A
    EXPT005_ALERT_1_A  _exptl_crystal_description is missing
                Crystal habit description.
                The following tests will not be performed.
                CRYSR_01
    DIFF003_ALERT_1_A  _diffrn_measurement_device_type is missing
                Diffractometer make and type. Replaces _diffrn_measurement_type.
    PLAT183_ALERT_1_A Missing _cell_measurement_reflns_used Value ....     Please Do !  
    PLAT184_ALERT_1_A Missing _cell_measurement_theta_min Value ......     Please Do !  
    PLAT185_ALERT_1_A Missing _cell_measurement_theta_max Value ......     Please Do !  
    PLAT699_ALERT_1_A Missing _exptl_crystal_description Value .......     Please Do !  
    Alert level C
    PLAT052_ALERT_1_C Info on Absorption Correction Method   Not Given     Please Do !  
    PLAT057_ALERT_3_C Correction for Absorption Required   RT(exp) ...       1.11 Do !  
    PLAT234_ALERT_4_C Large Hirshfeld Difference C18      --C17      .       0.18 Ang.  
    PLAT260_ALERT_2_C Large Average Ueq of Residue Including       O1A      0.125 Check,

  • 羊倌

    引用回帖:
    3楼: Originally posted by 羊倌 at 2020-11-12 19:08:24
    Alert level A
    EXPT005_ALERT_1_A  _exptl_crystal_description is missing
                Crystal habit description.
                The following tests will not be performed.
                CRYSR_01
    DIFF003_ ...

    只有一个dmf
    求大神帮忙推出结构中SQUEEZE掉的残余分子,非常感谢!
    4201.png

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