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Information card for entry 1546093
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Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 1546093.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | PC |
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Formula | C15 H10 O2 |
Calculated formula | C15 H10 O2 |
SMILES | o1c(=O)ccc2c1cc(c1ccccc1)cc2 |
Title of publication | Aggregation of an n‒π* Molecule Induces Fluorescence Turn-on |
Authors of publication | Jhun, Byung Hak; Yi, Seung Yeon; Jeong, Donghyun; Cho, Jaeheung; Park, Soo Young; You, Youngmin |
Journal of publication | The Journal of Physical Chemistry C |
Year of publication | 2017 |
Journal volume | 121 |
Journal issue | 21 |
Pages of publication | 11907 |
a | 24.2286 ± 0.0011 Å |
b | 5.6429 ± 0.0002 Å |
c | 7.6125 ± 0.0003 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1040.78 ± 0.07 Å3 |
Cell temperature | 123 ± 2 K |
Ambient diffraction temperature | 123 ± 2 K |
Number of distinct elements | 3 |
Space group number | 29 |
Hermann-Mauguin space group symbol | P c a 21 |
Hall space group symbol | P 2c -2ac |
Residual factor for all reflections | 0.066 |
Residual factor for significantly intense reflections | 0.0518 |
Weighted residual factors for significantly intense reflections | 0.1445 |
Weighted residual factors for all reflections included in the refinement | 0.1547 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.173 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKa |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/1546093.html
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