Information card for entry 1505271
Formula |
C48 H60 O8 S4 |
Calculated formula |
C48 H60 O8 S4 |
SMILES |
S1CCOc2c3cccc2Cc2cccc4c2OCCSCCOCCOCCSCCOc2c(Cc5cccc(C4)c5OCCSCCOCCOCC1)cccc2C3 |
Title of publication |
Calix[4]thiacrowns as ditopic hosts for homo- and heterobinuclear accommodation: first report of a chopsticks-type pi-coordination. |
Authors of publication |
Lee, Jai Young; Kwon, Jongchul; Park, Chul Soon; Lee, Ji-Eun; Sim, Wonbo; Kim, Jong Seung; Seo, Joobeom; Yoon, Il; Jung, Jong Hwa; Lee, Shim Sung |
Journal of publication |
Organic letters |
Year of publication |
2007 |
Journal volume |
9 |
Journal issue |
3 |
Pages of publication |
493 - 496 |
a |
18.5095 ± 0.0016 Å |
b |
11.1086 ± 0.001 Å |
c |
22.85 ± 0.002 Å |
α |
90° |
β |
90° |
γ |
90° |
Cell volume |
4698.3 ± 0.7 Å3 |
Cell temperature |
546 ± 2 K |
Ambient diffraction temperature |
546 ± 2 K |
Number of distinct elements |
4 |
Space group number |
29 |
Hermann-Mauguin space group symbol |
P c a 21 |
Hall space group symbol |
P 2c -2ac |
Residual factor for all reflections |
0.168 |
Residual factor for significantly intense reflections |
0.0808 |
Weighted residual factors for significantly intense reflections |
0.1443 |
Weighted residual factors for all reflections included in the refinement |
0.1734 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.092 |
Diffraction radiation wavelength |
0.71073 Å |
Diffraction radiation type |
MoKα |
Has coordinates |
Yes |
Has disorder |
No |
Has Fobs |
No |
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https://www.crystallography.net/1505271.html