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Information card for entry 4108907
Preview
Coordinates | 4108907.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C21 H15 Br O2 |
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Calculated formula | C21 H15 Br O2 |
SMILES | Brc1ccc(C2c3c(ccc4c3cccc4)C(=C2)C(=O)OC)cc1 |
Title of publication | Copper-Catalyzed Reaction of α-Aryldiazoesters with Terminal Alkynes: A Formal [3 + 2] Cycloaddition Route Leading to Indene Derivatives |
Authors of publication | Eun Ju Park; Seok Hwan Kim; Sukbok Chang |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2008 |
Journal volume | 130 |
Pages of publication | 17268 - 17269 |
a | 13.181 ± 0.002 Å |
b | 5.5982 ± 0.001 Å |
c | 23.583 ± 0.004 Å |
α | 90° |
β | 104.2 ± 0.012° |
γ | 90° |
Cell volume | 1687 ± 0.5 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 4 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.1187 |
Residual factor for significantly intense reflections | 0.0694 |
Weighted residual factors for significantly intense reflections | 0.1931 |
Weighted residual factors for all reflections included in the refinement | 0.2363 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.042 |
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/4108907.html
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