Information card for entry 1512036
| Formula |
C36 H42 O2 |
| Calculated formula |
C36 H42 O2 |
| SMILES |
CCCCCCCCc1ccc2c3c1oc1ccc4c5c1c3c(cc2)oc5c(cc4)CCCCCCCC |
| Title of publication |
Synthesis, Properties, and Structures of Functionalizedperi-Xanthenoxanthene |
| Authors of publication |
Lv, Na; Xie, Meilan; Gu, Weibing; Ruan, Huanyang; Qiu, Song; Zhou, Chunshan; Cui, Zheng |
| Journal of publication |
Organic Letters |
| Year of publication |
2013 |
| Journal volume |
15 |
| Journal issue |
10 |
| Pages of publication |
2382 |
| a |
7.5749 ± 0.0012 Å |
| b |
9.3554 ± 0.0015 Å |
| c |
9.7521 ± 0.0016 Å |
| α |
87.313 ± 0.003° |
| β |
76.401 ± 0.003° |
| γ |
88.405 ± 0.003° |
| Cell volume |
670.88 ± 0.19 Å3 |
| Cell temperature |
140 ± 2 K |
| Ambient diffraction temperature |
140 ± 2 K |
| Number of distinct elements |
3 |
| Space group number |
2 |
| Hermann-Mauguin space group symbol |
P -1 |
| Hall space group symbol |
-P 1 |
| Residual factor for all reflections |
0.0784 |
| Residual factor for significantly intense reflections |
0.0495 |
| Weighted residual factors for significantly intense reflections |
0.1425 |
| Weighted residual factors for all reflections included in the refinement |
0.1817 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.047 |
| Diffraction radiation wavelength |
0.71073 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
No |
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The link is:
https://www.crystallography.net/1512036.html
