Determine point group





Number of atoms 80
Sum formula C24 H48 N8
Molecular weight 448.40









Rotational Analysis
Rotational Constant A (GHz) 0.1526
Rotational Constant B (GHz) 0.1526
Rotational Constant C (GHz) 0.1526
Classification : Spherical top




Symmetry adapted cartesian coordinates
Atom Number Atomic Symbol Atomic Number x-Coordinate (Angstrom) y-Coordinate (Angstrom) z-Coordinate (Angstrom)
1 N 7 1.557114 1.557114 1.557114
2 N 7 -1.557114 -1.557114 1.557114
3 N 7 -1.557114 1.557114 -1.557114
4 N 7 1.557114 -1.557114 -1.557114
5 N 7 -1.557114 1.557114 1.557114
6 N 7 1.557114 -1.557114 1.557114
7 N 7 1.557114 1.557114 -1.557114
8 N 7 -1.557114 -1.557114 -1.557114
9 C 6 2.589873 0.689128 2.110081
10 C 6 2.110081 2.589873 0.689128
11 C 6 0.689128 2.110081 2.589873
12 C 6 -0.689128 -2.110081 2.589873
13 C 6 -2.589873 -0.689128 2.110081
14 C 6 -2.110081 -2.589873 0.689128
15 C 6 -2.589873 0.689128 -2.110081
16 C 6 -2.110081 2.589873 -0.689128
17 C 6 -0.689128 2.110081 -2.589873
18 C 6 0.689128 -2.110081 -2.589873
19 C 6 2.589873 -0.689128 -2.110081
20 C 6 2.110081 -2.589873 -0.689128
21 C 6 -0.689128 2.589873 2.110081
22 C 6 -2.589873 2.110081 0.689128
23 C 6 -2.110081 0.689128 2.589873
24 C 6 2.589873 -2.110081 0.689128
25 C 6 2.110081 -0.689128 2.589873
26 C 6 0.689128 -2.589873 2.110081
27 C 6 0.689128 2.589873 -2.110081
28 C 6 2.589873 2.110081 -0.689128
29 C 6 2.110081 0.689128 -2.589873
30 C 6 -0.689128 -2.589873 -2.110081
31 C 6 -2.589873 -2.110081 -0.689128
32 C 6 -2.110081 -0.689128 -2.589873
33 H 1 3.355712 0.544873 1.346848
34 H 1 1.346848 3.355712 0.544873
35 H 1 0.544873 1.346848 3.355712
36 H 1 -0.544873 -1.346848 3.355712
37 H 1 -3.355712 -0.544873 1.346848
38 H 1 -1.346848 -3.355712 0.544873
39 H 1 -3.355712 0.544873 -1.346848
40 H 1 -1.346848 3.355712 -0.544873
41 H 1 -0.544873 1.346848 -3.355712
42 H 1 0.544873 -1.346848 -3.355712
43 H 1 3.355712 -0.544873 -1.346848
44 H 1 1.346848 -3.355712 -0.544873
45 H 1 -0.544873 3.355712 1.346848
46 H 1 -3.355712 1.346848 0.544873
47 H 1 -1.346848 0.544873 3.355712
48 H 1 3.355712 -1.346848 0.544873
49 H 1 1.346848 -0.544873 3.355712
50 H 1 0.544873 -3.355712 1.346848
51 H 1 0.544873 3.355712 -1.346848
52 H 1 3.355712 1.346848 -0.544873
53 H 1 1.346848 0.544873 -3.355712
54 H 1 -0.544873 -3.355712 -1.346848
55 H 1 -3.355712 -1.346848 -0.544873
56 H 1 -1.346848 -0.544873 -3.355712
57 H 1 3.111303 1.170086 2.963793
58 H 1 2.963793 3.111303 1.170086
59 H 1 1.170086 2.963793 3.111303
60 H 1 -1.170086 -2.963793 3.111303
61 H 1 -3.111303 -1.170086 2.963793
62 H 1 -2.963793 -3.111303 1.170086
63 H 1 -3.111303 1.170086 -2.963793
64 H 1 -2.963793 3.111303 -1.170086
65 H 1 -1.170086 2.963793 -3.111303
66 H 1 1.170086 -2.963793 -3.111303
67 H 1 3.111303 -1.170086 -2.963793
68 H 1 2.963793 -3.111303 -1.170086
69 H 1 -1.170086 3.111303 2.963793
70 H 1 -3.111303 2.963793 1.170087
71 H 1 -2.963793 1.170086 3.111303
72 H 1 3.111303 -2.963793 1.170086
73 H 1 2.963793 -1.170086 3.111304
74 H 1 1.170086 -3.111303 2.963793
75 H 1 1.170086 3.111303 -2.963793
76 H 1 3.111303 2.963793 -1.170086
77 H 1 2.963793 1.170086 -3.111303
78 H 1 -1.170086 -3.111303 -2.963793
79 H 1 -3.111303 -2.963793 -1.170086
80 H 1 -2.963793 -1.170086 -3.111303









Determined point group O
Subgroups
(Number of different orientations)
C2 (2) , C3 , C4 , D2 (2) , D3 , D4 , T



3N representation
group E 8C3 6C'2 6C4 3C2 =(C4)2 -
O 240 0 0 0 0 Submit
C2 240 - 0 - - Submit
C2 240 - - - 0 Submit
C3 240 0 - - - Submit
C4 240 - - 0 0 Submit
D2 240 - - - 0 Submit
D2 240 - 0 - 0 Submit
D3 240 0 0 - - Submit
D4 240 - 0 0 0 Submit
T 240 0 - - 0 Submit









Determine point group from cartesian coordinates Character tables for chemically important point groups Determine point group from internal coordinates

Last update Mai, 23rd 2018 by A. Gelessus, Impressum, Datenschutzerklärung/DataPrivacyStatement