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Information card for entry 7238936
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Coordinates | 7238936.cif |
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Original paper (by DOI) | HTML |
Formula | C28 H19 Cl N2 O3 |
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Calculated formula | C28 H19 Cl N2 O3 |
Title of publication | Selective synthesis of oxygen-containing heterocycles via tandem reactions of 1,2-allenic ketones with ethyl 4-chloroacetoacetate |
Authors of publication | Wang, Qiang; Xu, Zhouqing; Fan, Xuesen |
Journal of publication | RSC Advances |
Year of publication | 2013 |
Journal volume | 3 |
Journal issue | 13 |
Pages of publication | 4156 |
a | 9.592 ± 0.002 Å |
b | 10.08 ± 0.003 Å |
c | 11.857 ± 0.003 Å |
α | 89.893 ± 0.01° |
β | 76.026 ± 0.007° |
γ | 80.083 ± 0.008° |
Cell volume | 1094.9 ± 0.5 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0652 |
Residual factor for significantly intense reflections | 0.0587 |
Weighted residual factors for significantly intense reflections | 0.123 |
Weighted residual factors for all reflections included in the refinement | 0.1266 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.162 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
244472 (current) | 2019-11-28 | cif/ Adding structures of 7238936, 7238937, 7238938 via cif-deposit CGI script. |
7238936.cif |
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Users of the data should acknowledge the original authors of the
structural data.