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2009src0297 - C27H29N3O3

Sample Originator: P J Murphyb.

Data Collection: Richard A Stephensona

Structure Determination: Richard A Stephensona and Michael B. Hursthousea.

University of Southamptona
University of Wales, Bangorb

C27H29N3O3

InChI=1/C27H29N3O3/c1-17-22(32)18(2)26(5)27(23(17)25(3,4)16-21(31)33-27)29-24(28-19-12-8-6-9-13-19)30(26)20-14-10-7-11-15-20/h6-15,18H,16H2,1-5H3,(H,28,29)/t18-,26+,27+/m1/s1

Identification Number:10.5258/ecrystals/679
Controlled Keywords:organic
Date Created:02 April 2009
Deposited On:02 Apr 2009 17:04
Deposited By:Dr Richard A Stephenson

Data collection parameters

Chemical formulaC27 H29 N3 O3
Crystal morphology
Crystal systemmonoclinic
Space group symbolP2(1)/c
Cell length a12.0632(15)
Cell length b17.471(2)
Cell length c11.7628(11)
Cell angle alpha90.00
Cell angle beta105.363(7)
Cell angle gamma90.00
Data collection temperature120(2)

Refinement results

Solution figure of merit
R Factor (Obs)0.1086
R Factor (All)0.1906
Weighted R Factor (Obs)0.1678
Weighted R Factor (All)0.1953

Citation: Stephenson, Richard A and Murphy, P J and Hursthouse, Michael B. (2009) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/679)
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