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Information card for entry 4001980
Preview
Coordinates | 4001980.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C29 H31 N3 |
---|---|
Calculated formula | C29 H31 N3 |
SMILES | N(c1ccc(/C=C/C2=CC(=C(C#N)C#N)CC(C2)(C)C)cc1)(CC)[C@@H](c1ccccc1)C |
Title of publication | Near-Infrared Solid-State Emitters Based on Isophorone: Synthesis, Crystal Structure and Spectroscopic Properties |
Authors of publication | Massin, Julien; Dayoub, Wissam; Mulatier, Jean-Christophe; Aronica, Christophe; Bretonnière, Yann; Andraud, Chantal |
Journal of publication | Chemistry of Materials |
Year of publication | 2011 |
Journal volume | 23 |
Journal issue | 3 |
Pages of publication | 862 - 873 |
a | 8.552 ± 0.005 Å |
b | 7.519 ± 0.005 Å |
c | 38.551 ± 0.005 Å |
α | 90° |
β | 91.896 ± 0.005° |
γ | 90° |
Cell volume | 2478 ± 2 Å3 |
Cell temperature | 293 K |
Ambient diffraction temperature | 293 K |
Number of distinct elements | 3 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.1503 |
Residual factor for significantly intense reflections | 0.0574 |
Weighted residual factors for all reflections | 0.1263 |
Weighted residual factors for significantly intense reflections | 0.0743 |
Weighted residual factors for all reflections included in the refinement | 0.0743 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.7826 |
Diffraction radiation wavelength | 0.71069 Å |
Diffraction radiation type | MoKα |
Duplicate of | 4000705 |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4001980.html
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