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Information card for entry 7246140
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Coordinates | 7246140.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C33 H24 O8 |
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Calculated formula | C33 H24 O8 |
Title of publication | On the role of torsional dynamics in the solid-state fluorescent properties of a new bifluorene–tetracarboxylic acid and its supramolecular assemblies: a structural and TD-DFT investigation |
Authors of publication | Podda, Enrico; Arca, Massimiliano; Pintus, Anna; Lippolis, Vito; Caltagirone, Claudia; Coles, Simon J.; Orton, James B.; Ennas, Guido; Picci, Giacomo; Davies, Robert P.; Aragoni, M. Carla |
Journal of publication | CrystEngComm |
Year of publication | 2023 |
Journal volume | 25 |
Journal issue | 7 |
Pages of publication | 1058 - 1066 |
a | 7.908 ± 0.0006 Å |
b | 9.8092 ± 0.0005 Å |
c | 17.5752 ± 0.0009 Å |
α | 86.93 ± 0.004° |
β | 78.372 ± 0.005° |
γ | 69.784 ± 0.006° |
Cell volume | 1252.89 ± 0.14 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 3 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0672 |
Residual factor for significantly intense reflections | 0.0527 |
Weighted residual factors for significantly intense reflections | 0.146 |
Weighted residual factors for all reflections included in the refinement | 0.1547 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.059 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
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/7246140.html
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