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Information card for entry 7103128
Preview
Coordinates | 7103128.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C68.6 H61.2 N4 O8 |
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Calculated formula | C68.6 H61.2 N4 O8 |
Title of publication | A rigid sublimable naphthalenediimide cyclophane as model compound for UHV STM experiments. |
Authors of publication | Gabutti, Sandro; Knutzen, Marco; Neuburger, Markus; Schull, Guillaume; Berndt, Richard; Mayor, Marcel |
Journal of publication | Chemical communications (Cambridge, England) |
Year of publication | 2008 |
Journal issue | 20 |
Pages of publication | 2370 - 2372 |
a | 17.7349 ± 0.0002 Å |
b | 16.9022 ± 0.0002 Å |
c | 19.1495 ± 0.0002 Å |
α | 90° |
β | 92.6081 ± 0.0006° |
γ | 90° |
Cell volume | 5734.29 ± 0.11 Å3 |
Cell temperature | 173 K |
Ambient diffraction temperature | 173 K |
Number of distinct elements | 4 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.104 |
Residual factor for significantly intense reflections | 0.0839 |
Weighted residual factors for all reflections | 0.0867 |
Weighted residual factors for significantly intense reflections | 0.0794 |
Weighted residual factors for all reflections included in the refinement | 0.0794 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.0531 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7103128.html
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