[Open access]

[Contents scheme]

Acta Cryst. (2013). E69, o52-o53
[ doi:10.1107/S1600536812049641 ]

N-[3a-(4-Bromophenyl)-8b-hydroxy-6,8-dimethoxy-3-phenyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]benzofuran-1-yl]formamide monohydrate

E. Aubert, F. Thuaud, N. Ribeiro, L. Désaubry and E. Espinosa


Key indicators

checkCIF/PLATON results

No syntax errors found




Alert level C PLAT480_ALERT_4_C Long H...A H-Bond Reported H29 .. O15 .. 2.62 Ang.
Alert level G PLAT002_ALERT_2_G Number of Distance or Angle Restraints on AtSite 5 PLAT005_ALERT_5_G No _iucr_refine_instructions_details in the CIF ? PLAT007_ALERT_5_G Note: Number of Unrefined D-H Atoms ............ 1 PLAT154_ALERT_1_G The su's on the Cell Angles are Equal .......... 0.00200 Deg. PLAT793_ALERT_4_G The Model has Chirality at C8 (Verify) .... R PLAT793_ALERT_4_G The Model has Chirality at C9 (Verify) .... R PLAT793_ALERT_4_G The Model has Chirality at C11 (Verify) .... R PLAT793_ALERT_4_G The Model has Chirality at C12 (Verify) .... S PLAT860_ALERT_3_G Note: Number of Least-Squares Restraints ....... 3 PLAT912_ALERT_4_G Missing # of FCF Reflections Above STh/L= 0.600 35
0 ALERT level A = Most likely a serious problem - resolve or explain 0 ALERT level B = A potentially serious problem, consider carefully 1 ALERT level C = Check. Ensure it is not caused by an omission or oversight 10 ALERT level G = General information/check it is not something unexpected 1 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 1 ALERT type 3 Indicator that the structure quality may be low 6 ALERT type 4 Improvement, methodology, query or suggestion 2 ALERT type 5 Informative message, check

Copyright © International Union of Crystallography
IUCr Webmaster