Information card for entry 7131933
| Common name |
2,6-[(p-MeOBz)2N]2-azulene |
| Chemical name |
N2,N2,N6,N6-tetrakis(4-methoxyphenyl)azulene-2,6-diamine |
| Formula |
C38 H34 N2 O4 |
| Calculated formula |
C38 H34 N2 O4 |
| Title of publication |
Intense Absorption of Azulene Realized by Molecular Orbital Inversion |
| Authors of publication |
Tsuchiya, Takahiro; Hamano, Tomohiro; Inoue, Masahiro; Nakamura, Tomoya; Wakamiya, Atsushi; Mazaki, Yasuhiro |
| Journal of publication |
Chemical Communications |
| Year of publication |
2023 |
| a |
11.3794 ± 0.0003 Å |
| b |
9.6787 ± 0.0002 Å |
| c |
14.2709 ± 0.0003 Å |
| α |
90° |
| β |
107.337 ± 0.003° |
| γ |
90° |
| Cell volume |
1500.36 ± 0.06 Å3 |
| Cell temperature |
120 K |
| Ambient diffraction temperature |
120 K |
| Number of distinct elements |
4 |
| Space group number |
14 |
| Hermann-Mauguin space group symbol |
P 1 21/c 1 |
| Hall space group symbol |
-P 2ybc |
| Residual factor for all reflections |
0.0581 |
| Residual factor for significantly intense reflections |
0.0553 |
| Weighted residual factors for significantly intense reflections |
0.1248 |
| Weighted residual factors for all reflections included in the refinement |
0.126 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.193 |
| Diffraction radiation probe |
x-ray |
| Diffraction radiation wavelength |
1.54178 Å |
| Diffraction radiation type |
CuKα |
| Has coordinates |
Yes |
| Has disorder |
Yes |
| Has Fobs |
No |
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The link is:
https://www.crystallography.net/7131933.html
