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cool223

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Alert level A
EXPT005_ALERT_1_A _exptl_crystal_description is missing
Crystal habit description.
The following tests will not be performed.
CRYSR_01
EXPT010_ALERT_1_A _exptl_crystal_colour (_pd_char_colour for powder) is missing
Crystal colour.
The following tests will not be performed.
CRYSC_01
DENSX01_ALERT_1_A The ratio of the calculated to measured crystal density
lies outside the range 0.80 <> 1.20
Calculated density = 1.283
Measured density = 0.000
PLAT242_ALERT_2_A Check Low Ueq as Compared to Neighbors for N3
PLAT093_ALERT_1_A No su's on H-atoms, but refinement reported as . mixed
Alert level C
ABSTY03_ALERT_1_C The _exptl_absorpt_correction_type has been given as none.
However values have been given for Tmin and Tmax. Remove these if an absorption correction has not been applied.
From the CIF: _exptl_absorpt_correction_T_min 0.975
From the CIF: _exptl_absorpt_correction_T_max 0.994
PLAT026_ALERT_3_C Ratio Observed / Unique Reflections too Low .... 48 Perc
PLAT340_ALERT_3_C Low Bond Precision on C-C Bonds (x 1000) Ang .. 6
PLAT371_ALERT_2_C Long C(sp2)-C(sp1) Bond C10 - C15 ... 1.45 Ang.
PLAT031_ALERT_4_C Refined Extinction Parameter within Range ...... 2.70 Sigm
PLAT048_ALERT_1_C MoietyFormula Not Given ........................ ?
PLAT125_ALERT_4_C No _symmetry_space_group_name_Hall Given ....... ?
PLAT153_ALERT_1_C The su's on the Cell Axes are Equal (x 100000) 300 Ang.
PLAT195_ALERT_1_C Missing _cell_measurement_theta_max datum .... ?
PLAT196_ALERT_1_C Missing _cell_measurement_theta_min datum .... ?
Alert level G
PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 37
C11 -C10 -C15 -N1 166.00 10.00 1.555 1.555 1.555 1.555
PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 38
C9 -C10 -C15 -N1 -15.00 10.00 1.555 1.555 1.555 1.555

[ Last edited by cool223 on 2009-11-28 at 21:24 ]
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cool223

гæ (³õÈëÎÄ̳)

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DENSX01_ALERT_1_A The ratio of the calculated to measured crystal density
lies outside the range 0.80 <> 1.20
Calculated density = 1.283
Measured density = 0.000
PLAT242_ALERT_2_A Check Low Ueq as Compared to Neighbors for N3
PLAT093_ALERT_1_A No su's on H-atoms, but refinement reported as . mixed
3Â¥2009-11-28 21:23:53
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
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huahua1216

ÖÁ×ðľ³æ (ÎÄ̳¾«Ó¢)

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paopaomeng(½ð±Ò+1,VIP+0):лл½»Á÷ 11-29 13:20
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2Â¥2009-11-28 21:08:40
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4Â¥2009-11-28 21:41:20
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jehugu

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paopaomeng(½ð±Ò+1,VIP+0):лл½»Á÷ 11-29 13:20
ÃæµÄÊǺýâ¾ö£¬¾ÍÊÇÕâÁ½¸ö²»»áŪ
DENSX01_ALERT_1_A The ratio of the calculated to measured crystal density
lies outside the range 0.80 <> 1.20
Calculated density = 1.283
Measured density = 0.000

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PLAT242_ALERT_2_A Check Low Ueq as Compared to Neighbors for N3
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5Â¥2009-11-29 10:08:48
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