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99SRC012(1189) - C23H26N2O3

Sample Originator: Mark (B.M.) Herona.

Data Collection: Thomas Gelbrichb and Michael B. Hursthouseb

Structure Determination: Thomas Gelbrichb.

University of Leedsa
University of Southamptonb

C23H26N2O3

InChI=1/C23H26N2O3/c1-2-23(26,19-7-9-20(10-8-19)24-11-15-27-16-12-24)21-5-3-4-6-22(21)25-13-17-28-18-14-25/h1,3-10,26H,11-18H2/t23-/m0/s1

Date Created:15 January 1999
Deposited On:23 Dec 2014 12:46
Deposited By:Mr Steve Lamond

Data collection parameters

Chemical formulaC23 H26 N2 O3
Crystal morphology
Crystal systemMonoclinic
Space group symbolP2(1)/n
Cell length a13.189(3)
Cell length b9.300(2)
Cell length c16.258(3)
Cell angle alpha90.00
Cell angle beta102.79(3)
Cell angle gamma90.00
Data collection temperature150(2)

Refinement results

Solution figure of merit
R Factor (Obs)0.0491
R Factor (All)0.0913
Weighted R Factor (Obs)0.1124
Weighted R Factor (All)0.1324

Citation: Heron, Mark (B.M.) and Gelbrich, Thomas and Hursthouse, Michael B. (1999) University of Southampton, Crystal Structure Report Archive. (http://ecrystals.chem.soton.ac.uk/805/)
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Available Files

Final Result

99SRC012.cif17k
99SRC012.cml8k

Validation

99SRC012_checkcif.htm10k

Refinement

99SRC012.res7k

Processing

99SRC012.hkl455k

Other Files

99SRC012.inchi2k
99SRC012.mol4k
99SRC012.txt18k
99SRC012_ellipsoid.gif24k

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