Information card for entry 7125466
| Formula |
C38 H28 O4 |
| Calculated formula |
C38 H16 O4 |
| Title of publication |
Synthesis, structure and inclusion properties of 1,4,15,18-tetrahydro-1,4,15,18-tetraoxodibenzo[b,h]tetraphenylene† |
| Authors of publication |
Yang, Xiao-Ping; Du, Da-Ming; Li, Qi; Mak, Thomas C. W.; Wong, Henry N. C. |
| Journal of publication |
Chemical Communications |
| Year of publication |
1999 |
| Journal issue |
16 |
| Pages of publication |
1607 |
| a |
10.498 ± 0.003 Å |
| b |
9.646 ± 0.002 Å |
| c |
14.687 ± 0.003 Å |
| α |
90° |
| β |
101.08 ± 0.01° |
| γ |
90° |
| Cell volume |
1459.5 ± 0.6 Å3 |
| Cell temperature |
293 ± 2 K |
| Ambient diffraction temperature |
293 ± 2 K |
| Number of distinct elements |
3 |
| Space group number |
13 |
| Hermann-Mauguin space group symbol |
P 1 2/n 1 |
| Hall space group symbol |
-P 2yac |
| Residual factor for all reflections |
0.0933 |
| Residual factor for significantly intense reflections |
0.0806 |
| Weighted residual factors for all reflections |
0.2696 |
| Weighted residual factors for significantly intense reflections |
0.2358 |
| Goodness-of-fit parameter for all reflections |
1.112 |
| Goodness-of-fit parameter for significantly intense reflections |
1.139 |
| Diffraction radiation wavelength |
0.71073 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
No |
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