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Information card for entry 4038157
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Coordinates | 4038157.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C52 H65 N O10 |
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Calculated formula | C52 H65 N O10 |
Title of publication | Bringing a Molecular Plus One: Synergistic Binding Creates Guest-Mediated Three Component Complexes. |
Authors of publication | Taimoory, S. Maryamdokht; Twum, Kwaku; Dashti, Mohadeseh; Pan, FangFang; Lahtinen, Manu; Rissanen, Kari; Puttreddy, Rakesh; Trant, John F.; Beyeh, Ngong Kodiah |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2020 |
a | 50.2896 ± 0.0007 Å |
b | 16.4078 ± 0.0003 Å |
c | 16.6971 ± 0.0004 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 13777.5 ± 0.5 Å3 |
Cell temperature | 120.01 ± 0.1 K |
Ambient diffraction temperature | 120.01 ± 0.1 K |
Number of distinct elements | 4 |
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 | 0.1073 |
Residual factor for significantly intense reflections | 0.0672 |
Weighted residual factors for significantly intense reflections | 0.1665 |
Weighted residual factors for all reflections included in the refinement | 0.1917 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.011 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4038157.html
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Users of the data should acknowledge the original authors of the
structural data.