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Information card for entry 4516174
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Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 4516174.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C19 H11 N O2 |
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Calculated formula | C19 H11 N O2 |
SMILES | c12ccccc1cc(C(=C\c1cc3c(cccc3)o1)\C#N)o2 |
Title of publication | Solid-State Emission Enhancement via Molecular Engineering of Benzofuran Derivatives. |
Authors of publication | Grolleau, Jérémie; Petrov, Ravil; Allain, Magali; Skene, William G.; Frère, Pierre |
Journal of publication | ACS omega |
Year of publication | 2018 |
Journal volume | 3 |
Journal issue | 12 |
Pages of publication | 18542 - 18552 |
a | 5.843 ± 0.0002 Å |
b | 3.9026 ± 0.0002 Å |
c | 30.318 ± 0.002 Å |
α | 90° |
β | 94.535 ± 0.004° |
γ | 90° |
Cell volume | 689.17 ± 0.06 Å3 |
Cell temperature | 293 ± 1 K |
Ambient diffraction temperature | 293 ± 1 K |
Number of distinct elements | 4 |
Space group number | 7 |
Hermann-Mauguin space group symbol | P 1 c 1 |
Hall space group symbol | P -2yc |
Residual factor for all reflections | 0.0547 |
Residual factor for significantly intense reflections | 0.0498 |
Weighted residual factors for significantly intense reflections | 0.1352 |
Weighted residual factors for all reflections included in the refinement | 0.1484 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.119 |
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/4516174.html
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