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Information card for entry 7053660
Preview
Coordinates | 7053660.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C345.28 H450.21 N4 O74.72 |
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Calculated formula | C349.85 H452.61 N4 O75.46 |
Title of publication | Spectroscopic investigations of pyrene butanol encapsulated in C-hexylpyrogallol[4]arene nanocapsules |
Authors of publication | Whetstine, Jena L.; Kline, Katrina K.; Fowler, Drew A.; Ragan, Cheryl M.; Barnes, Charles L.; Atwood, Jerry L.; Tucker, Sheryl A. |
Journal of publication | New Journal of Chemistry |
Year of publication | 2010 |
Journal volume | 34 |
Journal issue | 11 |
Pages of publication | 2587 |
a | 19.5278 ± 0.0006 Å |
b | 22.6384 ± 0.0007 Å |
c | 23.5862 ± 0.0007 Å |
α | 69.145 ± 0.002° |
β | 69.485 ± 0.002° |
γ | 71.748 ± 0.002° |
Cell volume | 8911.8 ± 0.5 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.2532 |
Residual factor for significantly intense reflections | 0.181 |
Weighted residual factors for significantly intense reflections | 0.4634 |
Weighted residual factors for all reflections included in the refinement | 0.5175 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.815 |
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/7053660.html
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