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Information card for entry 1501769
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Coordinates | 1501769.cif |
---|---|
Original paper (by DOI) | HTML |
External links | ChemSpider |
Common name | Compound X |
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Chemical name | San341 (Mario) |
Formula | C18 H19 N3 |
Calculated formula | C18 H19 N3 |
SMILES | C(#N)c1ccc(cc1)/N=C/c1ccc(cc1)N(CC)CC |
Title of publication | Highly Efficient Photorefractive Organic Polymers Based on Benzonitrile Shiff Bases Nonlinear Chromophores |
Authors of publication | Herrera-Ambriz, Victor-Manuel; Maldonado, José-Luis; Rodríguez, Mario; Castro-Beltrán, Rigoberto; Ramos-Ortíz, Gabriel; Magaña-Vergara, Nancy-Evelyn; Meneses-Nava, Marco-Antonio; Barbosa-García, Oracio; Santillan, Rosa; Farfán, Norberto; Dang, Florian-Xuan; Lacroix, Pascal G.; Ledoux-Rak, Isabelle |
Journal of publication | The Journal of Physical Chemistry C |
Year of publication | 2011 |
Journal volume | 115 |
Journal issue | 48 |
Pages of publication | 23955 |
a | 7.6934 ± 0.0002 Å |
b | 9.7091 ± 0.0003 Å |
c | 11.3685 ± 0.0003 Å |
α | 84.576 ± 0.001° |
β | 73.338 ± 0.002° |
γ | 75.881 ± 0.001° |
Cell volume | 788.67 ± 0.04 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 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 | 0.1025 |
Residual factor for significantly intense reflections | 0.0564 |
Weighted residual factors for significantly intense reflections | 0.1418 |
Weighted residual factors for all reflections included in the refinement | 0.1731 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.081 |
Diffraction radiation probe | x-ray |
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/1501769.html
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Users of the data should acknowledge the original authors of the
structural data.