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Information card for entry 4021987
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Coordinates | 4021987.cif |
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Original paper (by DOI) | HTML |
Chemical name | (Z)-2-(4H-benzo[1,4]oxazin-3-ylidene)-N,N-diethylacetamide |
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Formula | C28 H34 N4 O4 |
Calculated formula | C28 H34 N4 O4 |
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 | 6.7277 ± 0.0004 Å |
b | 13.3202 ± 0.001 Å |
c | 14.9976 ± 0.0011 Å |
α | 89.706 ± 0.004° |
β | 86.144 ± 0.004° |
γ | 86.008 ± 0.004° |
Cell volume | 1337.7 ± 0.16 Å3 |
Cell temperature | 298 K |
Ambient diffraction temperature | 298 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0726 |
Residual factor for significantly intense reflections | 0.0484 |
Weighted residual factors for significantly intense reflections | 0.1367 |
Weighted residual factors for all reflections included in the refinement | 0.1643 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.056 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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