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Information card for entry 7113936
Preview
Coordinates | 7113936.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C163 H175 F24 N63 O50 P4 |
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Calculated formula | C163 H175 F24 N63 O50 P4 |
Title of publication | Efficient syntheses of pillar[6]arene-based hetero[4]rotaxanes using a cooperative capture strategy |
Authors of publication | Xisen Hou; Chenfeng Ke; Chuyang Cheng; Nan Song; Anthea K. Blackburn; Amy A. Sarjeant; Youssry Y. Botros; Ying-Wei Yang; J. Fraser |
Journal of publication | Chem.Commun. |
Year of publication | 2014 |
Journal volume | 50 |
Pages of publication | 6196 |
a | 16.0511 ± 0.0005 Å |
b | 25.4637 ± 0.0009 Å |
c | 30.2922 ± 0.001 Å |
α | 91.6273 ± 0.0018° |
β | 94.4694 ± 0.0018° |
γ | 90.902 ± 0.002° |
Cell volume | 12336.4 ± 0.7 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1575 |
Residual factor for significantly intense reflections | 0.1284 |
Weighted residual factors for significantly intense reflections | 0.3725 |
Weighted residual factors for all reflections included in the refinement | 0.3931 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.546 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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The link is: https://www.crystallography.net/7113936.html
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Users of the data should acknowledge the original authors of the
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