[Open access]

[Contents scheme]

Acta Cryst. (2013). E69, o225
[ doi:10.1107/S1600536813000366 ]

[(1R,3S)-2,2-Dichloro-3-(hydroxymethyl)cyclopropyl]methanol

M. H. Kailani


Key indicators

checkCIF/PLATON results

No syntax errors found




Alert level C PLAT245_ALERT_2_C U(iso) H4 Smaller than U(eq) O1A by ... 0.015 AngSq PLAT340_ALERT_3_C Low Bond Precision on C-C Bonds ............... 0.0049 Ang PLAT790_ALERT_4_C Centre of Gravity not Within Unit Cell: Resd. # 1 C5 H8 Cl2 O2 PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L= 0.595 4
Alert level G PLAT005_ALERT_5_G No _iucr_refine_instructions_details in the CIF ? PLAT199_ALERT_1_G Check the Reported _cell_measurement_temperature 293 K PLAT200_ALERT_1_G Check the Reported _diffrn_ambient_temperature 293 K PLAT720_ALERT_4_G Number of Unusual/Non-Standard Labels .......... 12 PLAT791_ALERT_4_G Note: The Model has Chirality at C2A (Verify) R PLAT791_ALERT_4_G Note: The Model has Chirality at C2B (Verify) R PLAT791_ALERT_4_G Note: The Model has Chirality at C3A (Verify) S PLAT791_ALERT_4_G Note: The Model has Chirality at C3B (Verify) S PLAT870_ALERT_4_G ALERTS Related to Twinning Effects Suppressed .. ! PLAT909_ALERT_3_G Percentage of Observed Data at Theta(Max) still 31 Perc. PLAT931_ALERT_5_G Check Twin Law ( 0 1 -1)[ ] Estimated BASF 0.08
0 ALERT level A = Most likely a serious problem - resolve or explain 0 ALERT level B = A potentially serious problem, consider carefully 4 ALERT level C = Check. Ensure it is not caused by an omission or oversight 11 ALERT level G = General information/check it is not something unexpected 2 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 3 ALERT type 3 Indicator that the structure quality may be low 7 ALERT type 4 Improvement, methodology, query or suggestion 2 ALERT type 5 Informative message, check

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