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96SRC245 (981) - C18H19NO2

Sample Originator: John C. Tebbya.

Data Collection: Dai E. Hibbsb and Michael B. Hursthousec

Structure Determination: Dai E. Hibbsb and Steven J. Lamondc.

University of Staffordshirea
University of Sydneyb
University of Southamptonc

C18H19NO2

InChI=1/C18H19NO2/c1-14(2)13-19(17(20)15-9-5-3-6-10-15)18(21)16-11-7-4-8-12-16/h3-12,14H,13H2,1-2H3

Date Created:24 September 1996
Deposited On:23 Dec 2014 13:25
Deposited By:Mr Steve Lamond

Data collection parameters

Chemical formulaC18 H19 N O2
Crystal morphology
Crystal systemtriclinic
Space group symbolP-1
Cell length a7.9300(10)
Cell length b8.7170(6)
Cell length c11.6550(10)
Cell angle alpha75.190(8)
Cell angle beta78.740(9)
Cell angle gamma89.930(7)
Data collection temperature150(2)

Refinement results

Solution figure of merit
R Factor (Obs)0.0422
R Factor (All)0.0617
Weighted R Factor (Obs)0.0953
Weighted R Factor (All)0.1014

Citation: Tebby, John C. and Hibbs, Dai E. and Hursthouse, Michael B. and Lamond, Steven J. (1996) University of Southampton, Crystal Structure Report Archive. (http://ecrystals.chem.soton.ac.uk/796/)
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Available Files

Final Result

96SRC245.cif13k
96SRC245.cml6k

Validation

96SRC245_checkcif.htm9k

Refinement

96SRC245.res7k

Processing

96SRC245.hkl60k

Other Files

96SRC245.inchi2k
96SRC245.jpg1452k
96SRC245.mol3k
96SRC245_ellipsoid.gif18k
molecule.jpg48k

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