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Information card for entry 4021986
Preview
Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 4021986.cif |
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Original paper (by DOI) | HTML |
External links | ChemSpider |
Chemical name | (Z)-2-benzo[1,4]dioxin-2-ylidene-N,N-diethylacetamide |
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Formula | C14 H17 N O3 |
Calculated formula | C14 H17 N O3 |
SMILES | N(C(=O)/C=C/1Oc2ccccc2OC1)(CC)CC |
Title of publication | A New Synthesis of 2,3-Dihydrobenzo[1,4]dioxine and 3,4-Dihydro-2H-benzo[1,4]oxazine Derivatives by Tandem Palladium-Catalyzed Oxidative Aminocarbonylation-Cyclization of 2-Prop-2-ynyloxyphenols and 2-Prop-2-ynyloxyanilines |
Authors of publication | Bartolo Gabriele; Giuseppe Salerno; Lucia Veltri; Raffaella Mancuso; Zhiyu Li; Alessandra Crispini; Anna Bellusci |
Journal of publication | Journal of Organic Chemistry |
Year of publication | 2006 |
Journal volume | 71 |
Pages of publication | 7895 - 7898 |
a | 20.0396 ± 0.0009 Å |
b | 20.0396 ± 0.0009 Å |
c | 6.5949 ± 0.0004 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2648.4 ± 0.2 Å3 |
Cell temperature | 298 K |
Ambient diffraction temperature | 298 K |
Number of distinct elements | 4 |
Space group number | 86 |
Hermann-Mauguin space group symbol | P 42/n :2 |
Hall space group symbol | -P 4bc |
Residual factor for all reflections | 0.0795 |
Residual factor for significantly intense reflections | 0.0551 |
Weighted residual factors for significantly intense reflections | 0.1668 |
Weighted residual factors for all reflections included in the refinement | 0.1989 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.069 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4021986.html
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