Information card for entry 4122287
| Formula |
C104 H96 F36 N16 P6 |
| Calculated formula |
C104 H95.5 F36 N16 P6 |
| Title of publication |
ExCage |
| Authors of publication |
Dale, Edward J.; Vermeulen, Nicolaas A.; Thomas, Andy A.; Barnes, Jonathan C.; Juríček, Michal; Blackburn, Anthea K.; Strutt, Nathan L.; Sarjeant, Amy A.; Stern, Charlotte L.; Denmark, Scott E.; Stoddart, J. Fraser |
| Journal of publication |
Journal of the American Chemical Society |
| Year of publication |
2014 |
| Journal volume |
136 |
| Journal issue |
30 |
| Pages of publication |
10669 |
| a |
18.1424 ± 0.0006 Å |
| b |
28.4624 ± 0.0009 Å |
| c |
21.3281 ± 0.0006 Å |
| α |
90° |
| β |
90° |
| γ |
90° |
| Cell volume |
11013.3 ± 0.6 Å3 |
| Cell temperature |
100 ± 2 K |
| Ambient diffraction temperature |
99.99 K |
| Number of distinct elements |
5 |
| Space group number |
36 |
| Hermann-Mauguin space group symbol |
C m c 21 |
| Hall space group symbol |
C 2c -2 |
| Residual factor for all reflections |
0.0465 |
| Residual factor for significantly intense reflections |
0.0456 |
| Weighted residual factors for significantly intense reflections |
0.1232 |
| Weighted residual factors for all reflections included in the refinement |
0.1251 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.075 |
| Diffraction radiation wavelength |
1.54178 Å |
| Diffraction radiation type |
CuKα |
| Has coordinates |
Yes |
| Has disorder |
Yes |
| Has Fobs |
No |
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