[Open access]

[Contents scheme]

Acta Cryst. (2012). E68, o2794
[ doi:10.1107/S160053681203632X ]

7-[(7S)-7-Azaniumyl-5-azaspiro[2.4]hept-5-yl]-8-chloro-6-fluoro-1-[(1S,2R)-2-fluorocyclopropyl]-4-oxo-1,4-dihydroquinoline-3-carboxylate methanol monosolvate

W.-J. Xu, X.-H. Qiu, H.-J. Hua, S.-D. Tan and H.-Y. Ding


Key indicators

checkCIF/PLATON results

No syntax errors found




Alert level C PLAT340_ALERT_3_C Low Bond Precision on C-C Bonds ............... 0.0043 Ang PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L= 0.596 4 PLAT913_ALERT_3_C Missing # of Very Strong Reflections in FCF .... 1 PLAT915_ALERT_3_C Low Friedel Pair Coverage ...................... 53 Perc.
Alert level G REFLT03_ALERT_4_G WARNING: Large fraction of Friedel related reflns may be needed to determine absolute structure From the CIF: _diffrn_reflns_theta_max 66.86 From the CIF: _reflns_number_total 2745 Count of symmetry unique reflns 1889 Completeness (_total/calc) 145.31% TEST3: Check Friedels for noncentro structure Estimate of Friedel pairs measured 856 Fraction of Friedel pairs measured 0.453 Are heavy atom types Z>Si present yes PLAT005_ALERT_5_G No _iucr_refine_instructions_details in CIF .... ? PLAT007_ALERT_5_G Note: Number of Unrefined D-H Atoms ............ 4 PLAT194_ALERT_1_G Missing _cell_measurement_reflns_used datum .... ? PLAT199_ALERT_1_G Check the Reported _cell_measurement_temperature 293 K PLAT200_ALERT_1_G Check the Reported _diffrn_ambient_temperature 293 K PLAT791_ALERT_4_G Note: The Model has Chirality at C12 (Verify) S PLAT791_ALERT_4_G Note: The Model has Chirality at C16 (Verify) R PLAT791_ALERT_4_G Note: The Model has Chirality at C17 (Verify) S PLAT909_ALERT_3_G Percentage of Observed Data at Theta(Max) still 82 Perc.
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 10 ALERT level G = General information/check it is not something unexpected 3 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 0 ALERT type 2 Indicator that the structure model may be wrong or deficient 5 ALERT type 3 Indicator that the structure quality may be low 4 ALERT type 4 Improvement, methodology, query or suggestion 2 ALERT type 5 Informative message, check

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