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01SRC108 (922) - C15H17NO4

Sample Originator: Jenny A. Littlechilda.

Data Collection: Simon J. Colesb and Michael B. Hursthouseb

Structure Determination: Simon J. Colesb.

University of Exetera
University of Southamptonb

C15H17NO4

InChI=1/C15H17NO4/c1-19-14(17)12-7-11-8-13(15(18)20-11)16(12)9-10-5-3-2-4-6-10/h2-6,11-13H,7-9H2,1H3/t11-,12-,13+/m1/s1

Date Created:07 February 2001
Deposited On:23 Dec 2014 13:27
Deposited By:Mr Steve Lamond

Data collection parameters

Chemical formulaC15 H17 N O4
Crystal morphology
Crystal systemMonoclinic
Space group symbolP2(1)
Cell length a7.6905(15)
Cell length b9.930(2)
Cell length c9.0526(18)
Cell angle alpha90.00
Cell angle beta97.07(3)
Cell angle gamma90.00
Data collection temperature150(2)

Refinement results

Solution figure of merit
R Factor (Obs)0.0626
R Factor (All)0.0779
Weighted R Factor (Obs)0.1451
Weighted R Factor (All)0.1562

Citation: Littlechild, Jenny A. and Coles, Simon J. and Hursthouse, Michael B. (2001) University of Southampton, Crystal Structure Report Archive. (http://ecrystals.chem.soton.ac.uk/780/)
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Available Files

Final Result

S92.CIF12k
S92.cml5k

Validation

S92_checkcif.htm10k

Refinement

S92.res6k

Processing

01SRC108.HTM6k
S92.HKL153k

Other Files

S92.TEX8k
S92.inchi2k
S92.mol3k
S92_ellipsoid.gif18k
TABLES.DOC45k

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