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Acta Cryst. (2008). E64, o1495  [ doi:10.1107/S1600536808021466 ]

A new polymorph of N-(prop-2-ynyl)tricyclo[3.3.1.13,7]decane-1-carboxamide

W. Frey, S. Schetter, F. Rominger and A. S. K. Hashmi

Online 16 July 2008


Key indicators

checkCIF/PLATON results

No syntax errors found




Alert level B PLAT031_ALERT_4_B Refined Extinction Parameter within Range ...... 1.14 Sigma PLAT063_ALERT_4_B Crystal Probably too Large for Beam Size ....... 0.90 mm
Alert level C PLAT245_ALERT_2_C U(iso) H1A Smaller than U(eq) N1 by ... 0.01 AngSq PLAT480_ALERT_4_C Long H...A H-Bond Reported H3A .. X1 .. 2.93 Ang. PLAT480_ALERT_4_C Long H...A H-Bond Reported H3B .. X1 .. 2.93 Ang. PLAT716_ALERT_1_C H...A Unknown or Inconsistent Label .......... X1 H3A X1 PLAT716_ALERT_1_C H...A Unknown or Inconsistent Label .......... X1 H3B X1 PLAT716_ALERT_1_C H...A Unknown or Inconsistent Label .......... X1 H6A X1 PLAT717_ALERT_1_C D...A Unknown or Inconsistent Label .......... X1 C3 X1 PLAT717_ALERT_1_C D...A Unknown or Inconsistent Label .......... X1 C3 X1 PLAT717_ALERT_1_C D...A Unknown or Inconsistent Label .......... X1 C6 X1 PLAT718_ALERT_1_C D-H..A Unknown or Inconsistent Label .......... X1 C3 H3A X1 PLAT718_ALERT_1_C D-H..A Unknown or Inconsistent Label .......... X1 C3 H3B X1 PLAT718_ALERT_1_C D-H..A Unknown or Inconsistent Label .......... X1 C6 H6A X1
Alert level G REFLT03_ALERT_4_G Please check that the estimate of the number of Friedel pairs is correct. If it is not, please give the correct count in the _publ_section_exptl_refinement section of the submitted CIF. From the CIF: _diffrn_reflns_theta_max 29.99 From the CIF: _reflns_number_total 1853 Count of symmetry unique reflns 1857 Completeness (_total/calc) 99.78% TEST3: Check Friedels for noncentro structure Estimate of Friedel pairs measured 0 Fraction of Friedel pairs measured 0.000 Are heavy atom types Z>Si present no PLAT199_ALERT_1_G Check the Reported _cell_measurement_temperature 293 K PLAT200_ALERT_1_G Check the Reported _diffrn_ambient_temperature . 293 K
0 ALERT level A = In general: serious problem 2 ALERT level B = Potentially serious problem 12 ALERT level C = Check and explain 3 ALERT level G = General alerts; check 11 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 1 ALERT type 2 Indicator that the structure model may be wrong or deficient 0 ALERT type 3 Indicator that the structure quality may be low 5 ALERT type 4 Improvement, methodology, query or suggestion 0 ALERT type 5 Informative message, check

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