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Information card for entry 1503637
Preview
Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 1503637.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C17 H14 N2 O |
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Calculated formula | C17 H14 N2 O |
SMILES | N1=C(OC[C@@H]1Cc1ccccc1)c1cccc(c1)C#N |
Title of publication | Modular synthesis of oxazolines and their derivatives. |
Authors of publication | Mei, Luo; Hai, Zhang Jia; Jie, Sun; Ming, Zhou Shi; Hao, Yin; Liang, Hu Ke |
Journal of publication | Journal of combinatorial chemistry |
Year of publication | 2009 |
Journal volume | 11 |
Journal issue | 2 |
Pages of publication | 220 - 227 |
a | 7.8004 ± 0.0007 Å |
b | 11.6387 ± 0.0011 Å |
c | 30.824 ± 0.003 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2798.4 ± 0.5 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 4 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.0849 |
Residual factor for significantly intense reflections | 0.0614 |
Weighted residual factors for significantly intense reflections | 0.1328 |
Weighted residual factors for all reflections included in the refinement | 0.1449 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.037 |
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/1503637.html
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Users of the data should acknowledge the original authors of the
structural data.