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Information card for entry 7150411
Preview
Coordinates | 7150411.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C60 H64 F12 N6 O7 P2 |
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Calculated formula | C60 H64 F12 N6 O7 P2 |
Title of publication | Pyridinium CH...anion and pi-stacking interactions in modular tripodal anion binding hosts: ATP binding and solid-state chiral induction. |
Authors of publication | Belcher, Warwick J.; Fabre, Muriel; Farhan, Tamer; Steed, Jonathan W. |
Journal of publication | Organic & biomolecular chemistry |
Year of publication | 2006 |
Journal volume | 4 |
Journal issue | 5 |
Pages of publication | 781 - 786 |
a | 9.8279 ± 0.0002 Å |
b | 30.0349 ± 0.001 Å |
c | 20.0581 ± 0.0006 Å |
α | 90° |
β | 99.28 ± 0.002° |
γ | 90° |
Cell volume | 5843.3 ± 0.3 Å3 |
Cell temperature | 120 ± 2 K |
Ambient diffraction temperature | 120 ± 2 K |
Number of distinct elements | 6 |
Space group number | 9 |
Hermann-Mauguin space group symbol | C 1 c 1 |
Hall space group symbol | C -2yc |
Residual factor for all reflections | 0.0681 |
Residual factor for significantly intense reflections | 0.0515 |
Weighted residual factors for significantly intense reflections | 0.1123 |
Weighted residual factors for all reflections included in the refinement | 0.121 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.006 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
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/7150411.html
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structural data.