Information card for entry 7120406
Common name |
pillar[5]arene heptane |
Formula |
C62 H86 O10 |
Calculated formula |
C62 H86 O10 |
Title of publication |
Alkane-Length Sorting Using Activated Pillar[5]arene Crystals |
Authors of publication |
Ogoshi, Tomoki; Sueto, Ryuta; Hamada, Yukie; Doitomi, Kazuki; Hirao, Hajime; Sakata, Yoko; Akine, Shigehisa; Kakuta, Takahiro; Yamagishi, Tada-aki |
Journal of publication |
Chem. Commun. |
Year of publication |
2017 |
a |
42.5349 ± 0.0007 Å |
b |
15.8092 ± 0.0007 Å |
c |
16.7646 ± 0.0018 Å |
α |
90° |
β |
90° |
γ |
90° |
Cell volume |
11273.2 ± 1.3 Å3 |
Cell temperature |
90 K |
Ambient diffraction temperature |
90 K |
Number of distinct elements |
3 |
Space group number |
60 |
Hermann-Mauguin space group symbol |
P b c n |
Hall space group symbol |
-P 2n 2ab |
Residual factor for all reflections |
0.0961 |
Residual factor for significantly intense reflections |
0.0951 |
Weighted residual factors for significantly intense reflections |
0.2675 |
Weighted residual factors for all reflections included in the refinement |
0.2682 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.098 |
Diffraction radiation wavelength |
1.54178 Å |
Diffraction radiation type |
CuKα |
Has coordinates |
Yes |
Has disorder |
Yes |
Has Fobs |
No |
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https://www.crystallography.net/7120406.html