Information card for entry 7200917
| Formula |
C21 H14 O2 S |
| Calculated formula |
C21 H14 O2 S |
| Title of publication |
Conformational and color polymorphism of achiral 2-methyl-3-(2-naphthalenylthio)-1,4-naphthalenedione |
| Authors of publication |
Imai, Yoshitane; Kinuta, Takafumi; Nagasaki, Keiko; Harada, Takunori; Sato, Tomohiro; Tajima, Nobuo; Sasaki, Yoh; Kuroda, Reiko; Matsubara, Yoshio |
| Journal of publication |
CrystEngComm |
| Year of publication |
2009 |
| Journal volume |
11 |
| Journal issue |
7 |
| Pages of publication |
1223 |
| a |
22.763 ± 0.003 Å |
| b |
4.9872 ± 0.0005 Å |
| c |
13.6097 ± 0.0015 Å |
| α |
90° |
| β |
95.969 ± 0.002° |
| γ |
90° |
| Cell volume |
1536.6 ± 0.3 Å3 |
| Cell temperature |
120 ± 2 K |
| Ambient diffraction temperature |
120 ± 2 K |
| Number of distinct elements |
4 |
| Space group number |
9 |
| Hermann-Mauguin space group symbol |
C 1 c 1 |
| Hall space group symbol |
C -2yc |
| Residual factor for all reflections |
0.0561 |
| Residual factor for significantly intense reflections |
0.0472 |
| Weighted residual factors for significantly intense reflections |
0.1192 |
| Weighted residual factors for all reflections included in the refinement |
0.1259 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.062 |
| Diffraction radiation wavelength |
0.71073 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
Yes |
| Has Fobs |
No |
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The link is:
https://www.crystallography.net/7200917.html
