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Information card for entry 1513724
Preview
Coordinates | 1513724.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C125 H139 F48 N15 O15 P8 |
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Calculated formula | C125 H139 F48 N15 O15 P8 |
Title of publication | Topological isomerism in a chiral handcuff catenane |
Authors of publication | Hartlieb, Karel J.; Blackburn, Anthea K.; Schneebeli, Severin T.; Forgan, Ross S.; Sarjeant, Amy A.; Stern, Charlotte L.; Cao, Dennis; Stoddart, J. Fraser |
Journal of publication | Chemical Science |
Year of publication | 2014 |
Journal volume | 5 |
Journal issue | 1 |
Pages of publication | 90 |
a | 16.475 ± 0.004 Å |
b | 18.609 ± 0.005 Å |
c | 25.278 ± 0.006 Å |
α | 105.106 ± 0.008° |
β | 99.281 ± 0.007° |
γ | 93.008 ± 0.006° |
Cell volume | 7348 ± 3 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 99.97 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 | 0.0814 |
Residual factor for significantly intense reflections | 0.0668 |
Weighted residual factors for significantly intense reflections | 0.1811 |
Weighted residual factors for all reflections included in the refinement | 0.1899 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.054 |
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/1513724.html
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