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Information card for entry 7244104
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Coordinates | 7244104.cif |
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Original paper (by DOI) | HTML |
Formula | C25 H20 N4 O5 |
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Calculated formula | C25 H20 N4 O5 |
Title of publication | Bis-isonicotinoyl linkers containing polyaromatic scaffolds: synthesis, structure and spectroscopic properties. |
Authors of publication | Delledonne, Andrea; Orlandini, Martina; Mazzeo, Paolo P.; Sissa, Cristina; Bacchi, Alessia; Terenziani, Francesca; Pelagatti, Paolo |
Journal of publication | Physical chemistry chemical physics : PCCP |
Year of publication | 2022 |
Journal volume | 24 |
Journal issue | 2 |
Pages of publication | 1191 - 1201 |
a | 13.5492 ± 0.001 Å |
b | 7.4023 ± 0.0005 Å |
c | 21.4841 ± 0.0016 Å |
α | 90° |
β | 100.382 ± 0.002° |
γ | 90° |
Cell volume | 2119.5 ± 0.3 Å3 |
Cell temperature | 200 ± 2 K |
Ambient diffraction temperature | 200 K |
Number of distinct elements | 4 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.1008 |
Residual factor for significantly intense reflections | 0.0733 |
Weighted residual factors for significantly intense reflections | 0.1461 |
Weighted residual factors for all reflections included in the refinement | 0.1582 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.124 |
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/7244104.html
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structural data.