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Information card for entry 7156863
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Coordinates | 7156863.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C15 H14 O2 |
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Calculated formula | C15 H14 O2 |
Title of publication | TiCl<sub>4</sub>-n-Bu<sub>3</sub>N-mediated cascade annulation of ketones with α-ketoesters: a facile synthesis of highly substituted fused γ-alkylidene-butenolides. |
Authors of publication | Palange, Megha N.; Gonnade, Rajesh G.; Kontham, Ravindar |
Journal of publication | Organic & biomolecular chemistry |
Year of publication | 2019 |
Journal volume | 17 |
Journal issue | 23 |
Pages of publication | 5749 - 5759 |
a | 18.466 ± 0.002 Å |
b | 9.1472 ± 0.0009 Å |
c | 13.5472 ± 0.0015 Å |
α | 90° |
β | 90.909 ± 0.004° |
γ | 90° |
Cell volume | 2288 ± 0.4 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 3 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.1001 |
Residual factor for significantly intense reflections | 0.0736 |
Weighted residual factors for significantly intense reflections | 0.1245 |
Weighted residual factors for all reflections included in the refinement | 0.134 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.156 |
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/7156863.html
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structural data.