UPPW-8
January 9, 2004

Problem :
        
ICDD 45-1677
C17H11NO   -   2-Amino-6H-benz[de]anthracen-7-one
Wavelength   1.54056 A
Filter : Ni
Aluminum used as an internal standard

Ref : V. Chernyshev, A. Yatsenko, S. Zhukov,
Chemistry Dept.; Moscow State Univ. Russia, 
ICDD Grant-in-Aid (1993)

Color ; red
CAS #: 53652-23-6.
Recrystallized from methylene chloride-octane mixture. Used as
a fluorescent dye in plastics.
Mwt : 235.28

Search in the Cambridge Structural Database : 
        negative with C17H11N1O1 formula
 
d(A)  intensities
11.158  13
8.3405  38
7.4960  96
7.2862 100
6.8410  12
5.5741  10
5.2091  11
4.5346   2
4.4619  11
4.1365  10
4.0027  25
3.9068  16
3.7383  10
3.6271  47
3.5150   7
3.3878   3
3.3706   4
3.2574  14
3.1871   7
3.1091   3
3.0643   3

RESULTS : 
orthorhombic or monoclinic close cells ?

Most probable cell(s) according to the Participants :

Program            a          b           c        alpha      beta     gamma       V     
                                            M(20)       F 20         Unindexed    Zero   Spacegroup

TREOR (NM)      16.672      14.956      4.7627       90.       90.        90.      1187.7
                                           M(14)= 14    F14 = 25 (0.02055, 28)         

TREOR (SG)      14.968      16.669      4.775        90.       90.32      90.      1191.3
                                           M(18)= 12    F18 = 24 (0.01735, 45)              P21/a ?
AUTOX (VZ)       4.758      14.991     16.692        90.       90.        90.      1190.6

McMaille (ALB)  14.005      16.675      4.772        90.       90.        90.      1193.2       
                                           M(20)= 20    F20 = 45 (0.0111, 40)


Results from NM and SG (TREOR), Victor Zlokazov (AUTOX) and Armel Le Bail (McMaille).

Plot by using WinPlotr on the McMaille results :