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90MZ17 - C16H13NO

Sample Originator: Alan G. Osbornea.

Data Collection: Muhammed A. Mazidb and Michael B. Hursthousec

Structure Determination: Muhammed A. Mazidb.

London City Universitya
University of Wales, Cardiffb
University of Southamptonc

C16H13NO

InChI=1/4C16H13NO/c4*1-11-6-8-12(9-7-11)14-10-16(18)17-15-5-3-2-4-13(14)15/h4*2-10H,1H3,(H,17,18)

Identification Number:10.5258/ecrystals/1029
Controlled Keywords:organic compounds
Date Created:01 March 1991
Deposited On:10 Jun 2013 17:24
Deposited By:Mr Steve Lamond

Data collection parameters

Chemical formulaC16 H13 N O
Crystal morphology
Crystal systemmonoclinic
Space group symbolP2(1)/c
Cell length a19.6605(4)
Cell length b9.7889(3)
Cell length c25.6319(7)
Cell angle alpha90.00
Cell angle beta92.613(3)
Cell angle gamma90.00
Data collection temperature293(2)

Refinement results

Solution figure of merit
R Factor (Obs)0.0782
R Factor (All)0.1331
Weighted R Factor (Obs)0.2028
Weighted R Factor (All)0.2418

Citation: Osborne, Alan G. and Mazid, Muhammed A. and Hursthouse, Michael B. (1991) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/1029)
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Available Files

Final Result

90MZ17.cif26k
90MZ17.cml17k
90MZ17.fcf280k

Validation

90MZ17_checkcif.htm10k

Refinement

90MZ17.res17k

Processing

90MZ17.HKL755k

Other Files

90MZ17.inchi4k
90MZ17.ins15k
90MZ17.mol9k
90MZ17_ellipsoid.gif31k

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